⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22836176 | 1.00 | — | — | |
| SCHEMBL22834832 | 1.00 | — | — | |
| SCHEMBL6840832 | 0.94 | ALDH1A1 (0.47) | — | |
| SCHEMBL1133492 | 0.94 | ALDH1A1 (0.35) | — | |
| SCHEMBL7491240 | 0.92 | ALDH1A1 (0.37) | — | |
| SCHEMBL7648667 | 0.92 | ALDH1A1 (0.44) | — | |
| SCHEMBL11501635 | 0.85 | ALDH1A1 (0.50) | — | |
| SCHEMBL8638311 | 0.85 | — | — | |
| SCHEMBL56058 | 0.85 | ALDH1A1 (0.50) | — | |
| SCHEMBL3789483 | 0.85 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040198735-A1 | Sulfonyl heteroaryl triazoles as anti-inflammatory/analgesic agents | SAKYA SUBAS M (US) | 2004-10-07 | — | — | US | disclosed |
| US-20030125368-A1 | Sulfonyl aryl triazoles as anti-inflammatory/analgesic agents | SAKYA SUBAS M (US) | 2003-07-03 | — | — | US | disclosed |
| US-6531492-B1 | Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents | PFIZER INC. | 2003-03-11 | — | — | US | disclosed |