⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20708270 | 0.80 | — | — | |
| SCHEMBL20115029 | 0.74 | — | — | |
| SCHEMBL15980334 | 0.70 | — | — | |
| SCHEMBL15980368 | 0.70 | — | — | |
| SCHEMBL15980392 | 0.67 | — | — | |
| SCHEMBL24115655 | 0.65 | HKDC1 (0.32) | — | |
| SCHEMBL22891528 | 0.65 | — | — | |
| SCHEMBL15980336 | 0.64 | — | — | |
| SCHEMBL7363252 | 0.64 | GSK3A (0.37) | — | |
| SCHEMBL14908332 | 0.64 | ALDH1A1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2793311-B1 | METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND | FUJIFILM CORP (JP) | 2019-06-19 | — | — | EP | disclosed |
| 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 |