⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17937471 | 0.79 | — | — | |
| SCHEMBL1985004 | 0.76 | — | — | |
| SCHEMBL450125 | 0.76 | — | — | |
| SCHEMBL12035115 | 0.76 | — | — | |
| SCHEMBL2561895 | 0.75 | — | — | |
| SCHEMBL2569647 | 0.73 | — | — | |
| SCHEMBL18710271 | 0.71 | MAN1B1 (0.36) | — | |
| SCHEMBL21388382 | 0.71 | MAN1B1 (0.36) | — | |
| SCHEMBL9268731 | 0.71 | MAN1B1 (0.36) | — | |
| SCHEMBL338223 | 0.71 | MAN1B1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6444696-B1 | 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) LLC | 2002-09-03 | — | — | US | disclosed |
| US-20020103245-A1 | Pyrazole derivatives P38 MAP kinase inhibitors | GOLDSTEIN DAVID MICHAEL (US) | 2002-08-01 | — | — | US | disclosed |
| EP-1218346-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-03 | — | — | EP | disclosed |
| US-6316466-B1 | Pyrazole derivatives P-38 MAP kinase inhibitors | SYNTEX (U.S.A.) LLC | 2001-11-13 | — | — | US | disclosed |
| WO-2001021591-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-29 | — | — | WO | disclosed |