⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11640330 | 0.79 | — | — | |
| SCHEMBL5655726 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL5656349 | 0.74 | HSD11B1 (0.33) | — | |
| SCHEMBL11368312 | 0.72 | — | — | |
| SCHEMBL14204157 | 0.67 | THRB (0.39) | — | |
| SCHEMBL19520571 | 0.66 | — | — | |
| SCHEMBL10531773 | 0.64 | — | — | |
| SCHEMBL14476257 | 0.64 | NOTUM (0.34) | — | |
| SCHEMBL21233348 | 0.60 | TDP1 (0.35) | — | |
| SCHEMBL11806912 | 0.60 | CYP1A2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7262185-B2 | Benzazepine derivative, process for producing the same, and use | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2007-08-28 | — | — | US | disclosed |
| US-20040235822-A1 | Benzazepine derivative, process for producing the same, and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1422228-A1 | BENZAZEPINE DERIVATIVE&comma; PROCESS FOR PRODUCING THE SAME&comma; AND USE | Takeda Chemical Industries, Ltd. (JP) | 2004-05-26 | — | — | EP | disclosed |