⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3824890 | 0.81 | — | — | |
| SCHEMBL3823953 | 0.80 | PPARD (0.30) | — | |
| SCHEMBL3827473 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL3822543 | 0.78 | — | — | |
| SCHEMBL3826938 | 0.78 | — | — | |
| SCHEMBL3826546 | 0.78 | — | — | |
| SCHEMBL22275274 | 0.78 | — | — | |
| SCHEMBL3822195 | 0.75 | — | — | |
| SCHEMBL3822169 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL3823302 | 0.71 | KIF11 (0.32) | — |
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-2096111-A1 | PYRAZOLES AND USE THEREOF AS DRUGS | Japan Tobacco Inc. (JP) | 2009-09-02 | — | — | EP | disclosed |
| US-20090036450-A1 | PYRAZOLE COMPOUNDS AND USE THEREOF | JAPAN TOBACCO, INC. (JP) | 2009-02-05 | — | — | US | disclosed |