⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6972184 | 0.81 | — | — | |
| SCHEMBL6972068 | 0.80 | — | — | |
| SCHEMBL6971274 | 0.74 | MAPT (0.30) | — | |
| SCHEMBL6969272 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL6969777 | 0.72 | — | — | |
| SCHEMBL6960371 | 0.68 | — | — | |
| SCHEMBL1977080 | 0.66 | MEN1 (0.30) | — | |
| SCHEMBL7809154 | 0.65 | ADRA1D (0.33) | — | |
| SCHEMBL6901097 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL6963180 | 0.61 | — | — |
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-0954521-B1 | 4- (THIEN-3-YL)METHYL] IMIDAZOLE DERIVATIVES HAVING ALPHA2-ADRENOCEPTOR AGONISTIC ACTIVITY | ORTHO MCNEIL PHARM INC (US) | 2003-05-14 | — | — | EP | disclosed |
| US-5750720-A | ALPHA-ADRENORECEPTORS AND CENTRAL NERVOUS SYSTEMS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |