[B071]Extract chemical structures from a single patent
Extract chemical structures (compounds) mentioned in a single patent and their related information through patent ID, including compound names, InChI Keys, SMILES, molecular weights, mention counts in different sections, etc.
patent_id and patent_number are required, if both are provided, patent_id takes precedence
Request Parameters
List of parameters supported by this API endpoint
| Name | Type | Example | Description |
|---|---|---|---|
| boolean | - | Exclude reagents |
| integer<int32> | 10 | Number of returned items, default 10.Maximum limit setting 1000 |
| boolean | - | Only show compounds that first appear in this patent |
| integer<int32> | 1 | page, default 1 |
| string | f5817034-1395-4bc1-b0f2-eb712e66702c | Patent id |
| string | US12497460B2 | Patent number |
| number<double> | 888 | Maximum molecular weight |
| number<double> | 30 | Minimum molecular weight |
| array | [
1,
2,
3,
4,
5,
6,
7
] | Source, 1:Manual | 2:Other | 3:Picture | 4:Claims | 5:Abstract | 6:Title | 7:Description |
Response Schema
Structure of the API response data
| Field Name | Type | Example | Description |
|---|---|---|---|
data | object | - | response data |
page | integer<int32> | 1 | Current page number |
size | integer<int32> | 10 | Number of items per page |
items | array | Please check the form:PatentChemicalMention | Result items list |
mwt | number<double> | 868.45 | Molecular weight |
smiles | string | CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C | SMILES structure |
inchi_key | string | LQBVNQSMGBZMKD-UHFFFAOYSA-N | InChI Key |
patent_id | string | f5817034-1395-4bc1-b0f2-eb712e66702c | Patent id |
ta_mention | integer<int32> | - | Title and abstract mention count |
pdf_mention | integer<int32> | - | PDF mention count |
desc_mention | integer<int32> | 8 | Description mention count |
pdf_position | array | Please check the form:PatentChemicalMentionPosition | PDF location |
page | integer<int32> | 1 | Page |
position | array | [
0.2513,
0.6182,
0.3493,
0.6696
] | Location |
compound_name | string | VENETOCLAX / 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Compound name |
claims_mention | integer<int32> | 1 | Claims mention count |
publication_date | string | 20230727 | public date |
total | integer<int32> | 8 | Total number of records |
statusRequired | boolean | false | Status |
error_msg | string | The request parameter format is incorrect! | Error Message |
error_codeRequired | integer | 0 | Error Code |
Success Response Example
Example of a successful API response
JSON
{
"data": {
"page": 1,
"size": 10,
"items": [
{
"mwt": 868.45,
"smiles": "CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C",
"inchi_key": "LQBVNQSMGBZMKD-UHFFFAOYSA-N",
"patent_id": "f5817034-1395-4bc1-b0f2-eb712e66702c",
"ta_mention": 0,
"pdf_mention": 0,
"desc_mention": 8,
"pdf_position": [
{
"page": 1,
"position": [
0.2513,
0.6182,
0.3493,
0.6696
]
}
],
"compound_name": "VENETOCLAX / 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide",
"claims_mention": 1,
"publication_date": 20230727
}
],
"total": 8
},
"status": true,
"error_code": 0
}Error Codes
List of possible error codes returned by this endpoint
Business Errors
| Error Code | Description |
|---|---|
68300004 | Invalid parameter! |
68300005 | Search api failure! |
68300006 | Analytic basic access error! |
68300007 | Bad request! |
68300008 | Service error, please try again later! |
68300010 | The file does not comply with upload specifications! |
Platform Errors
| Error Code | Description |
|---|---|
67200000 | API call exceeds the total limit set by the platform! |
67200001 | API call exceeds the total limit set by the platform! |
67200002 | The current call rate is too fast, exceeding the current configuration limit QPS! |
67200003 | The key and secret parameters for applying for the token are incorrect or the client has been disabled! |
67200004 | The requested api does not have permission. Please contact our support personnel! |
67200005 | Insufficient account balance/number of calls! |
67200006 | The client has exceeded the activation validity period! |
67200007 | The current call exceeds the configured usage limit of the day! |
67200008 | Please check if the required apikey in the query parameter has been transmitted! |
67200009 | The apikey does not match the passed bearerToken. Please check if a valid token is being used! |
67200012 | The request is illegal! |
67200100 | The current server status is busy, request response timeout! |
67200101 | The API requested currently does not exist. Please check the request path! |
HTTP Status Codes
| Status Code | Description |
|---|---|
0 | Success |
201 | Created |
401 | Unauthorized |
403 | Forbidden |
404 | Not Found |
Performance Metrics
Expected performance characteristics for this endpoint
Normal Response Time
5000 ms
Max Response Time
10000 ms