⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7854845 | 0.80 | HTR1A (0.34) | — | |
| SCHEMBL4720133 | 0.79 | HRH3 (0.31) | — | |
| SCHEMBL7851389 | 0.79 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL30511250 | 0.79 | — | — | |
| SCHEMBL7855884 | 0.78 | — | — | |
| SCHEMBL1206197 | 0.77 | HRH3 (0.33) | — | |
| SCHEMBL7852152 | 0.75 | DRD3 (0.31) | — | |
| SCHEMBL4723949 | 0.73 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7064806 | 0.73 | SIGMAR1 (0.40) | — | |
| SCHEMBL4719965 | 0.73 | POLB (0.31) | — |
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-1144403-A1 | SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000031063-A1 | SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-06-02 | — | — | WO | disclosed |