⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28552011 | 0.86 | LIPG (0.31) | — | |
| SCHEMBL6014661 | 0.82 | — | — | |
| SCHEMBL5653434 | 0.78 | — | — | |
| SCHEMBL7221007 | 0.75 | — | — | |
| SCHEMBL5653900 | 0.73 | — | — | |
| SCHEMBL5653901 | 0.73 | — | — | |
| SCHEMBL30445324 | 0.73 | — | — | |
| SCHEMBL7444319 | 0.73 | — | — | |
| SCHEMBL27662497 | 0.73 | — | — | |
| SCHEMBL19021533 | 0.72 | — | — |
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-20090264404-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-10-22 | — | — | US | disclosed |
| EP-0730581-A4 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 1997-02-05 | — | — | EP | disclosed |
| EP-0730581-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |