⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14973466 | 1.00 | — | — | |
| SCHEMBL1132982 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL5465040 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL3068868 | 0.85 | — | — | |
| SCHEMBL20741850 | 0.85 | — | — | |
| SCHEMBL164544 | 0.85 | ALDH1A1 (0.57) | — | |
| SCHEMBL10939687 | 0.84 | — | — | |
| SCHEMBL9181556 | 0.84 | ESR2 (0.30) | — | |
| SCHEMBL9181558 | 0.84 | ESR2 (0.30) | — | |
| SCHEMBL385519 | 0.82 | ALDH1A1 (0.53) | — |
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-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 |
| US-4257974-A | Process for the preparation of α,β-dihaloalkyl isocyanates | BASF AKTIENGESELLSCAHFT (DE) | 1981-03-24 | — | — | US | disclosed |