⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6968310 | 0.92 | — | — | |
| SCHEMBL6962172 | 0.90 | CES2 (0.56) | — | |
| SCHEMBL6958189 | 0.82 | — | — | |
| SCHEMBL6136620 | 0.80 | NOS3 (0.50) | — | |
| SCHEMBL11143545 | 0.78 | NOS3 (0.48) | — | |
| SCHEMBL2736682 | 0.78 | — | — | |
| SCHEMBL2829403 | 0.78 | — | — | |
| SCHEMBL148183 | 0.78 | NOS3 (0.48) | — | |
| SCHEMBL6234311 | 0.78 | — | — | |
| SCHEMBL8657099 | 0.78 | NOS3 (0.48) | — |
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 |