PApatsnap
Chemical and Bio Data

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.

post/synapse/patent/chemical/getSingleData

Request

Request body

exclude_reagentsboolean

Exclude reagents

limitinteger

Number of returned items, default 10.Maximum limit setting 1000

only_firstboolean

Only show compounds that first appear in this patent

pageinteger

page, default 1

patent_idstring

Patent id

patent_numberstring

Patent number

range_maxnumber double

Maximum molecular weight

range_minnumber double

Minimum molecular weight

Example request

{
  "limit": 10,
  "page": 1,
  "patent_id": "f5817034-1395-4bc1-b0f2-eb712e66702c",
  "patent_number": "US12497460B2",
  "range_max": 888,
  "range_min": 30,
  "source": [
    1,
    2,
    3,
    4,
    5,
    6,
    7
  ]
}

Response

Successful b071 extract chemical structures from a single patent response.

statusboolean required

Status

error_msgstring

Error Message

error_codeinteger required

Error Code

Example response

{
  "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",
        "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
      }
    ],
    "total": 8
  },
  "error_msg": "The request parameter format is incorrect！"
}

Changes

No recorded changes to this operation across all 1 revision of this API.