⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8623944 | 0.90 | CYP2A6 (0.32) | — | |
| SCHEMBL8624076 | 0.80 | CHRM3 (0.38) | — | |
| SCHEMBL8620941 | 0.77 | MEN1 (0.40) | — | |
| SCHEMBL12433446 | 0.73 | CYP2A6 (0.35) | — | |
| SCHEMBL8619829 | 0.73 | UGT2B17 (0.38) | — | |
| SCHEMBL8622879 | 0.73 | CYP2A6 (0.32) | — | |
| SCHEMBL8619777 | 0.72 | DRD2 (0.36) | — | |
| SCHEMBL12511858 | 0.70 | GAA (0.43) | — | |
| SCHEMBL8625418 | 0.68 | CYP2A6 (0.35) | — | |
| SCHEMBL12433450 | 0.67 | TRPV1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5708015-A | SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS | ALLERGAN (US) | 1998-01-13 | — | — | US | disclosed |
| US-5580892-A | ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS | ALLERGAN | 1996-12-03 | — | — | US | disclosed |
| EP-0724439-A1 | USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS | Allergan (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011021-A1 | USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN (US) | 1995-04-27 | — | — | WO | disclosed |
| US-5252595-A | Method for reducing or maintaining intraocular pressure in the mammalian eye by administering pharmaceutical compositions containing 2-(2-alkylphenylamino)-oxazolines, 2-(2-alkylphenylamino)-thiazolines and 2-(2-alkylphenylamino)-imidazolines | ALLERGAN, INC. (US) | 1993-10-12 | — | — | US | disclosed |