⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8993230 | 0.79 | CYP2A6 (0.34) | — | |
| SCHEMBL8623398 | 0.72 | HTR2C (0.30) | — | |
| SCHEMBL15800566 | 0.64 | HRH3 (0.39) | — | |
| SCHEMBL29659736 | 0.63 | ADRA2A (0.44) | — | |
| SCHEMBL598145 | 0.63 | ADRA2A (0.44) | — | |
| SCHEMBL7049208 | 0.60 | TAAR1 (0.50) | — | |
| SCHEMBL12270119 | 0.60 | ADRA2A (0.37) | — | |
| SCHEMBL15412536 | 0.59 | BCL2L1 (0.38) | — | |
| SCHEMBL414118 | 0.58 | KDM4E (0.42) | — | |
| SCHEMBL17192147 | 0.58 | GID4 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |