⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19738691 | 0.77 | — | — | |
| SCHEMBL19339183 | 0.68 | — | — | |
| SCHEMBL15980324 | 0.68 | — | — | |
| SCHEMBL15980327 | 0.68 | DRD4 (0.33) | — | |
| SCHEMBL24115655 | 0.67 | HKDC1 (0.32) | — | |
| SCHEMBL15980385 | 0.65 | — | — | |
| SCHEMBL24850398 | 0.64 | — | — | |
| SCHEMBL9602749 | 0.63 | KDM4E (0.41) | — | |
| SCHEMBL25136805 | 0.61 | AADAT (0.33) | — | |
| SCHEMBL24018054 | 0.59 | POLB (0.43) | — |
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 |