⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5800490 | 0.83 | — | — | |
| SCHEMBL5802586 | 0.83 | ADRA1A (0.32) | — | |
| SCHEMBL5802511 | 0.82 | ADRA1A (0.39) | — | |
| SCHEMBL5798860 | 0.72 | PLAU (0.39) | — | |
| SCHEMBL23210909 | 0.63 | GID4 (0.36) | — | |
| SCHEMBL30308730 | 0.63 | GID4 (0.36) | — | |
| SCHEMBL30422252 | 0.63 | BRD4 (0.39) | — | |
| SCHEMBL13360866 | 0.63 | BRD4 (0.39) | — | |
| SCHEMBL5800426 | 0.62 | OPRM1 (0.34) | — | |
| SCHEMBL9455952 | 0.61 | TRPV1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006036404-A1 | 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |
| EP-1507767-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003099795-A1 | 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2003-12-04 | — | — | WO | disclosed |