⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL130245 | 0.72 | — | — | |
| SCHEMBL13328697 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL15795891 | 0.70 | NOS3 (0.39) | — | |
| SCHEMBL1708582 | 0.68 | — | — | |
| SCHEMBL858342 | 0.68 | — | — | |
| SCHEMBL30901327 | 0.68 | — | — | |
| SCHEMBL8597404 | 0.68 | — | — | |
| SCHEMBL6396744 | 0.68 | — | — | |
| SCHEMBL21737047 | 0.68 | — | — | |
| SCHEMBL558033 | 0.68 | — | — |
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-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-5614533-A | Substituted pipecolinic acid derivatives as HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1997-03-25 | — | — | US | disclosed |