⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6281732 | 0.83 | — | — | |
| SCHEMBL6302689 | 0.82 | SMYD3 (0.38) | — | |
| SCHEMBL6310050 | 0.81 | CA1 (0.34) | — | |
| SCHEMBL5482157 | 0.78 | CA14 (0.33) | — | |
| SCHEMBL5468706 | 0.78 | — | — | |
| SCHEMBL5467315 | 0.78 | CYP1A2 (0.35) | — | |
| SCHEMBL5466884 | 0.78 | CA14 (0.32) | — | |
| SCHEMBL5467574 | 0.78 | HDAC3 (0.35) | — | |
| SCHEMBL5473214 | 0.76 | DRD2 (0.30) | — | |
| SCHEMBL6303014 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6841550-B1 | Benzoxazine and benzothiazine derivatives and their use in medicines | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-01-11 | — | — | US | disclosed |