⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23772 | 0.83 | — | — | |
| SCHEMBL645664 | 0.69 | — | — | |
| SCHEMBL4435 | 0.69 | — | — | |
| SCHEMBL213234 | 0.69 | — | — | |
| SCHEMBL7855364 | 0.69 | — | — | |
| SCHEMBL772738 | 0.69 | CHRNA7 (0.39) | — | |
| SCHEMBL5554 | 0.67 | — | — | |
| SCHEMBL737460 | 0.67 | — | — | |
| SCHEMBL771708 | 0.67 | HRH3 (0.45) | — | |
| SCHEMBL3062588 | 0.67 | HRH3 (0.46) | — |
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 |