⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7495539 | 0.71 | CCR5 (0.35) | — | |
| SCHEMBL2380015 | 0.67 | — | — | |
| SCHEMBL27154571 | 0.67 | — | — | |
| SCHEMBL18045311 | 0.67 | — | — | |
| SCHEMBL27816943 | 0.61 | PRCP (0.37) | — | |
| SCHEMBL6623367 | 0.60 | — | — | |
| SCHEMBL2380066 | 0.60 | L3MBTL1 (0.38) | — | |
| SCHEMBL20758787 | 0.60 | L3MBTL1 (0.31) | — | |
| SCHEMBL2379562 | 0.60 | KDM4E (0.32) | — | |
| SCHEMBL9158221 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1152003-B1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PYRROLOAZEPINE DERIVATIVES | DAIICHI SUNTORY PHARMA CO LTD (JP) | 2004-03-03 | — | — | EP | disclosed |
| EP-0807632-B1 | PYRROLOAZEPINE DERIVATIVES | SUNTORY LTD (JP) | 2002-04-17 | — | — | EP | disclosed |
| EP-1152003-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PYRROLOAZEPINE DERIVATIVES | SUNTORY LIMITED (JP) | 2001-11-07 | — | — | EP | disclosed |
| EP-0807632-A1 | PYRROLOAZEPINE DERIVATIVES | SUNTORY LIMITED (JP) | 1997-11-19 | — | — | EP | disclosed |