⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13680919 | 0.77 | DAO (0.36) | — | |
| SCHEMBL13680921 | 0.70 | DRD2 (0.48) | — | |
| SCHEMBL13680927 | 0.68 | LMNA (0.45) | — | |
| SCHEMBL13680915 | 0.67 | HDAC1 (0.34) | — | |
| SCHEMBL1463893 | 0.65 | PARP1 (0.36) | — | |
| SCHEMBL13680913 | 0.65 | — | — | |
| SCHEMBL13680912 | 0.64 | — | — | |
| SCHEMBL10861164 | 0.64 | — | — | |
| SCHEMBL13680916 | 0.63 | — | — | |
| SCHEMBL8649031 | 0.63 | — | — |
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-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |