⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22704074 | 1.00 | — | — | |
| SCHEMBL14626493 | 0.91 | — | — | |
| SCHEMBL22704070 | 0.88 | — | — | |
| SCHEMBL18493342 | 0.88 | — | — | |
| SCHEMBL96763 | 0.87 | — | — | |
| SCHEMBL14050627 | 0.86 | — | — | |
| SCHEMBL18902478 | 0.85 | — | — | |
| SCHEMBL18902327 | 0.85 | — | — | |
| SCHEMBL18902479 | 0.85 | — | — | |
| SCHEMBL15692348 | 0.85 | — | — |
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-8729102-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-05-20 | — | — | US | disclosed |
| US-8703758-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-04-22 | — | — | US | disclosed |
| US-20120142714-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-06-07 | — | — | US | disclosed |
| US-20110263562-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |