⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13712046 | 0.80 | — | — | |
| SCHEMBL15871032 | 0.71 | — | — | |
| SCHEMBL24466856 | 0.67 | CHRNB2 (0.30) | — | |
| SCHEMBL15980343 | 0.67 | — | — | |
| SCHEMBL15980335 | 0.60 | NPC1 (0.35) | — | |
| SCHEMBL13356563 | 0.60 | MAPK1 (0.38) | — | |
| SCHEMBL15500375 | 0.58 | TYMS (0.36) | — | |
| SCHEMBL14930414 | 0.58 | — | — | |
| SCHEMBL24880105 | 0.58 | — | — | |
| SCHEMBL19152566 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9133129-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-09-15 | — | — | US | disclosed |
| US-9133129-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-09-15 | — | — | US | disclosed |
| US-20140243310-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-08-28 | — | — | US | disclosed |
| US-20140243310-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-08-28 | — | — | US | disclosed |