⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28221507 | 0.58 | NOTUM (0.42) | — | |
| SCHEMBL28317413 | 0.56 | — | — | |
| SCHEMBL1143678 | 0.54 | IDO1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL3368547 | 0.52 | IDO1 (0.53) | — | |
| SCHEMBL9918670 | 0.50 | — | — | |
| SCHEMBL3722291 | 0.49 | — | — | |
| SCHEMBL218054 | 0.45 | TDP1 (0.67) | — | |
| SCHEMBL83839 | 0.45 | ALDH1A1 (0.58) | — | |
| SCHEMBL26106467 | 0.43 | ALDH1A1 (0.55) | — | |
| SCHEMBL9563982 | 0.43 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030236258-A1 | Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents | PFIZER INC. | 2003-12-25 | — | — | US | disclosed |
| US-6531492-B1 | Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents | PFIZER INC. | 2003-03-11 | — | — | US | disclosed |
| EP-1233959-A1 | HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS | Pfizer Products Inc. (US) | 2002-08-28 | — | — | EP | disclosed |
| WO-2001040216-A1 | HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS | PFIZER PRODUCTS INC. (US) | 2001-06-07 | — | — | WO | disclosed |