⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4032826 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL1778393 | 0.60 | TRIM24 (0.36) | — | |
| SCHEMBL29952870 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL28218960 | 0.59 | ALDH1A1 (0.31) | — | |
| SCHEMBL858846 | 0.59 | — | — | |
| SCHEMBL4036189 | 0.58 | PTGER4 (0.36) | — | |
| SCHEMBL3533339 | 0.58 | — | — | |
| SCHEMBL12232255 | 0.58 | — | — | |
| SCHEMBL13060359 | 0.57 | TRIM24 (0.31) | — | |
| SCHEMBL4034517 | 0.57 | ALDH1A1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838545-B2 | 4-(condensed cyclicmethyl)-imidazole-2-thiones acting as alpha2 adrenergic agonists | ALLERGAN, INC. (US) | 2010-11-23 | — | — | US | disclosed |
| US-20090176828-A1 | 4-(CONDENSED CYCLICMETHYL)-IMIDAZOLE-2-THIONES ACTING AS ALPHA2 ADRENERGIC AGONISTS | ALLERGAN, INC. (US) | 2009-07-09 | — | — | US | disclosed |