⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5448314 | 0.90 | — | — | |
| SCHEMBL5485404 | 0.88 | MTNR1A (0.56) | — | |
| SCHEMBL5489959 | 0.86 | ALDH1A1 (0.57) | — | |
| SCHEMBL5481935 | 0.86 | MAPK14 (0.48) | — | |
| SCHEMBL5445210 | 0.85 | MAPK14 (0.48) | — | |
| SCHEMBL5482907 | 0.82 | ALDH1A1 (0.61) | — | |
| SCHEMBL5445220 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL5446763 | 0.82 | MAPK14 (0.56) | — | |
| SCHEMBL5454945 | 0.82 | KDM4E (0.51) | — | |
| SCHEMBL11173773 | 0.81 | — | — |
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-20070185169-A1 | 2-Mercapto-4,5-Diarylimidazole Derivatives and the use thereof as Cyclooxygenase Inhibitors | BEIERSDORF, AG | 2007-08-09 | — | — | US | disclosed |
| US-7223781-B2 | 2-mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors | BEIERSDORF AG (DE) | 2007-05-29 | — | — | US | disclosed |
| US-20040116695-A1 | 2-Mercapto-4,5-diarylimidazole derivatives and the use thereof as cyclooxygenase inhibitors | BEIERSDORF AG (DE) | 2004-06-17 | — | — | US | disclosed |