⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4861564 | 0.79 | CYP2C19 (0.41) | — | |
| SCHEMBL8675626 | 0.78 | — | — | |
| SCHEMBL3927721 | 0.78 | — | — | |
| SCHEMBL6537781 | 0.73 | — | — | |
| SCHEMBL17288881 | 0.73 | CYP2C19 (0.43) | — | |
| SCHEMBL24289039 | 0.71 | CYP2C19 (0.52) | — | |
| SCHEMBL19545542 | 0.71 | KDM4E (0.32) | — | |
| SCHEMBL25950295 | 0.71 | CYP2C19 (0.52) | — | |
| SCHEMBL303227 | 0.71 | CYP2C19 (0.42) | — | |
| SCHEMBL1412588 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3252791-A1 | DYE-SENSITIZED SOLAR CELL | Tanaka Kikinzoku Kogyo K.K. (JP) | 2017-12-06 | — | — | EP | disclosed |
| EP-3055311-B1 | NITROGEN CONTAINING COMPOUNDS AND THEIR USE | WOCKHARDT LTD (IN) | 2017-08-09 | — | — | EP | disclosed |