{
  "schemaVersion": 1,
  "analysisDate": "2026-10-16",
  "scope": "Selected substructure matches and hashed Morgan fingerprint overlap; not experimental activity.",
  "sourceRecords": [
    {
      "cid": "176870",
      "smiles": "COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC",
      "inchiKey": "AAKJLRGGTJKAMG-UHFFFAOYSA-N",
      "formula": "C22H23N3O4",
      "query": "Erlotinib",
      "sourceUrl": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/176870/property/SMILES,InChIKey,MolecularFormula/JSON",
      "checkedAt": "2026-10-08"
    },
    {
      "cid": "123631",
      "smiles": "COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4",
      "inchiKey": "XGALLCVXEZPNRQ-UHFFFAOYSA-N",
      "formula": "C22H24ClFN4O3",
      "query": "Gefitinib",
      "sourceUrl": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/123631/property/SMILES,InChIKey,MolecularFormula/JSON",
      "checkedAt": "2026-10-08"
    }
  ],
  "queries": [
    {
      "id": "alkyne",
      "smarts": "C#C"
    },
    {
      "id": "fluorine",
      "smarts": "[F]"
    },
    {
      "id": "chlorine",
      "smarts": "[Cl]"
    }
  ],
  "morgan": {
    "radius": 2,
    "bits": 2048,
    "useChirality": false
  },
  "results": {
    "peer": "gefitinib",
    "sourceCids": [
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    ],
    "sourceSmiles": [
      "COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC",
      "COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4"
    ],
    "counts": [
      {
        "alkyne": 1,
        "fluorine": 0,
        "chlorine": 0
      },
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        "fluorine": 1,
        "chlorine": 1
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    ],
    "aBits": 47,
    "bBits": 60,
    "sharedBits": 31,
    "unionBits": 76,
    "rdkitVersion": "2025.03.4"
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}