⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4332983 | 0.81 | CYP2D6 (0.33) | — | |
| SCHEMBL4332980 | 0.81 | CYP2D6 (0.33) | — | |
| SCHEMBL4347578 | 0.81 | CYP2D6 (0.33) | — | |
| SCHEMBL4331288 | 0.81 | CYP2D6 (0.30) | — | |
| SCHEMBL4333800 | 0.79 | CYP2D6 (0.35) | — | |
| SCHEMBL8061791 | 0.73 | NR1D1 (0.31) | — | |
| SCHEMBL9001946 | 0.73 | NR1D1 (0.31) | — | |
| SCHEMBL18494386 | 0.72 | HDAC6 (0.33) | — | |
| SCHEMBL12614293 | 0.72 | CYP2D6 (0.31) | — | |
| SCHEMBL12614287 | 0.72 | CYP2D6 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612068-B2 | Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives | H. LUNDBECK A/S (DK) | 2009-11-03 | — | — | US | disclosed |
| US-20060235003-A1 | Aromatic oxyphenyl and aromatic sulfanylphenyl derivatives | H. LUNDBECK A/S (DK) | 2006-10-19 | — | — | US | disclosed |
| EP-1622868-A1 | AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES | H. LUNDBECK A/S (DK) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004096761-A1 | AROMATIC OXYPHENYL AND AROMATIC SULFANYLPHENYL DERIVATIVES | H. LUNDBECK A/S (DK) | 2004-11-11 | — | — | WO | disclosed |