⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27823980 | 0.81 | KCNN4 (0.36) | — | |
| SCHEMBL154791 | 0.79 | — | — | |
| SCHEMBL7074113 | 0.79 | — | — | |
| SCHEMBL27936120 | 0.75 | — | — | |
| SCHEMBL3843381 | 0.75 | KCNN4 (0.38) | — | |
| Formaldehyde SCHEMBL28535625 | 0.73 | KCNN4 (0.33) | — | |
| SCHEMBL25340675 | 0.71 | KCNN4 (0.33) | — | |
| SCHEMBL8638068 | 0.71 | KCNN4 (0.33) | — | |
| SCHEMBL28206207 | 0.70 | KCNN4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL10927712 | 0.70 | KCNN4 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731793-A1 | 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | claimed |
| WO-1995015315-A1 | 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | claimed |
| EP-0830133-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | Takeda Chemical Industries, Ltd. (JP) | 1998-03-25 | — | — | EP | disclosed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996033717-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |