⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4619010 | 0.82 | — | — | |
| SCHEMBL10885990 | 0.78 | — | — | |
| SCHEMBL3659294 | 0.77 | — | — | |
| SCHEMBL28102249 | 0.77 | — | — | |
| SCHEMBL10352734 | 0.77 | — | — | |
| SCHEMBL10439395 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL947089 | 0.76 | — | — | |
| SCHEMBL6545430 | 0.76 | — | — | |
| SCHEMBL5644585 | 0.76 | — | — | |
| SCHEMBL571231 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1006122-B1 | PHENETHYLAMINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | EP | disclosed |
| US-6255285-B1 | GASTROINTESTINAL DISORDERS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-07-03 | — | — | US | disclosed |
| CN-1272114-A | Phenethylamine derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2000-11-01 | — | — | CN | disclosed |
| EP-1006122-A1 | PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2000-06-07 | — | — | EP | disclosed |