⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4524525 | 0.97 | — | — | |
| SCHEMBL1201578 | 0.92 | — | — | |
| SCHEMBL197424 | 0.92 | — | — | |
| SCHEMBL1201554 | 0.92 | — | — | |
| SCHEMBL3344209 | 0.79 | — | — | |
| SCHEMBL3340339 | 0.79 | — | — | |
| SCHEMBL197513 | 0.79 | — | — | |
| SCHEMBL6979374 | 0.72 | — | — | |
| SCHEMBL6264045 | 0.72 | — | — | |
| SCHEMBL29757290 | 0.71 | ALDH1A1 (0.41) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | US | claimed |
| CN-101374842-A | Azepinoindole derivatives as pharmaceutical agents | EXELIXIS INC (US) | 2009-02-25 | — | — | CN | claimed |
| EP-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | claimed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | claimed |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | claimed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | claimed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | claimed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | claimed |
| US-20230317700-A1 | CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME | ZYMEWORKS BC INC. (CA) | 2023-10-05 | — | — | US | disclosed |
| US-11591405-B2 | Cytotoxic and anti-mitotic compounds, and methods of using the same | ZYMEWORKS BC INC. | 2023-02-28 | — | — | US | disclosed |
| EP-4029873-A1 | CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME | Zymeworks Inc. (CA) | 2022-07-20 | — | — | EP | disclosed |
| EP-3194421-B1 | CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME | ZYMEWORKS INC (CA) | 2021-11-03 | — | — | EP | disclosed |
| CN-113416229-A | Cytotoxic and antimitotic compounds, and methods of use thereof | 酵活有限公司 | 2021-09-21 | — | — | CN | disclosed |
| CN-107001415-B | Cytotoxic and antimitotic compounds, and methods of use thereof | 酵活有限公司 | 2021-06-18 | — | — | CN | disclosed |
| EP-1713781-A1 | QUINAZOLINE DERIVATIVES | AstraZeneca AB (SE) | 2006-10-25 | — | — | EP | disclosed |
| WO-2005075439-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-08-18 | — | — | WO | disclosed |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | disclosed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | disclosed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | disclosed |