⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28579521 | 0.91 | — | — | |
| Dimethylamine SCHEMBL11133653 | 0.91 | — | — | |
| Dimethylamine SCHEMBL22581150 | 0.91 | KDM4E (0.38) | — | |
| Dimethylamine SCHEMBL34800 | 0.91 | — | — | |
| Dimethylamine SCHEMBL10600195 | 0.91 | KDM4E (0.38) | — | |
| Dimethylamine SCHEMBL27865196 | 0.83 | — | — | |
| Dimethylamine SCHEMBL28249086 | 0.83 | — | — | |
| Dimethylamine SCHEMBL27845552 | 0.83 | — | — | |
| Dimethylamine SCHEMBL9505957 | 0.83 | — | — | |
| Dimethylamine SCHEMBL5164633 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8466143-B2 | Azepine derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2013-06-18 | — | — | US | disclosed |
| US-20070015746-A1 | Azepine derivaties as pharmaceutical agents | X-CEPTOR THERAPEUTICS INC. (US) | 2007-01-18 | — | — | US | disclosed |
| EP-1648408-A4 | AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2006-11-29 | — | — | EP | disclosed |
| CN-1852748-A | Azepine derivatives as pharmaceutical agents | EXELIXIS INC (US) | 2006-10-25 | — | — | CN | disclosed |
| EP-1648408-A1 | AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005009387-A2 | AZEPINE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-CEPTOR THERAPEUTICS INC. (US) | 2005-02-03 | — | — | WO | disclosed |