⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL722434 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4166672 | 0.82 | — | — | |
| SCHEMBL16573384 | 0.76 | — | — | |
| SCHEMBL7854795 | 0.74 | JAK1 (0.33) | — | |
| SCHEMBL19418300 | 0.74 | OPRL1 (0.30) | — | |
| SCHEMBL26243152 | 0.74 | JAK1 (0.33) | — | |
| SCHEMBL389800 | 0.73 | — | — | |
| SCHEMBL24003586 | 0.72 | — | — | |
| SCHEMBL7855246 | 0.72 | — | — | |
| SCHEMBL258670 | 0.71 | — | — |
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 |