⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4447672 | 0.97 | — | — | |
| SCHEMBL1201578 | 0.89 | — | — | |
| SCHEMBL197424 | 0.89 | — | — | |
| SCHEMBL1201554 | 0.89 | — | — | |
| SCHEMBL3340339 | 0.77 | — | — | |
| SCHEMBL197513 | 0.77 | — | — | |
| SCHEMBL3344209 | 0.77 | — | — | |
| SCHEMBL10942196 | 0.74 | — | — | |
| SCHEMBL31574626 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL20997656 | 0.70 | ALDH1A1 (0.44) | — |
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 4 patents. 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 |
| US-20090203577-A1 | Azepinoindole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| CN-101374842-A | Azepinoindole derivatives as pharmaceutical agents | EXELIXIS INC (US) | 2009-02-25 | — | — | CN | disclosed |