⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041942 | 0.65 | — | — | |
| SCHEMBL14829441 | 0.59 | — | — | |
| SCHEMBL76348 | 0.59 | — | — | |
| SCHEMBL6025171 | 0.57 | — | — | |
| SCHEMBL2040243 | 0.56 | — | — | |
| SCHEMBL1651826 | 0.55 | — | — | |
| SCHEMBL18716326 | 0.55 | BACE1 (0.32) | — | |
| SCHEMBL9902884 | 0.53 | — | — | |
| SCHEMBL3338127 | 0.53 | — | — | |
| SCHEMBL1020645 | 0.50 | — | — |
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 |