⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26755831 | 0.79 | — | — | |
| SCHEMBL6959766 | 0.76 | — | — | |
| SCHEMBL23193097 | 0.74 | MCL1 (0.33) | — | |
| SCHEMBL6971098 | 0.73 | — | — | |
| SCHEMBL6959770 | 0.73 | — | — | |
| SCHEMBL1417434 | 0.71 | — | — | |
| SCHEMBL26877879 | 0.68 | POLB (0.35) | — | |
| SCHEMBL11974542 | 0.67 | GRIK1 (0.30) | — | |
| SCHEMBL294551 | 0.67 | — | — | |
| SCHEMBL3409242 | 0.67 | KDM4E (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |