⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5466886 | 0.87 | CTSK (0.31) | — | |
| SCHEMBL5467579 | 0.84 | CTSK (0.33) | — | |
| SCHEMBL5482158 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL5464877 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL5476931 | 0.81 | HDAC1 (0.36) | — | |
| SCHEMBL5467322 | 0.79 | PPARG (0.34) | — | |
| SCHEMBL5473218 | 0.78 | PPARG (0.30) | — | |
| SCHEMBL7704961 | 0.74 | HDAC3 (0.33) | — | |
| SCHEMBL6310051 | 0.74 | CA14 (0.36) | — | |
| SCHEMBL6303033 | 0.73 | L3MBTL1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070049583-A1 | Benzoxazine and benzothiazine derivatives and their use in pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 2007-03-01 | — | — | US | disclosed |
| US-7141566-B1 | Benzoxazine and benzothiazine derivatives and the use thereof in medicaments | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-11-28 | — | — | US | disclosed |