⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3987604 | 0.90 | PDE2A (0.31) | — | |
| SCHEMBL13795615 | 0.90 | PDE2A (0.31) | — | |
| SCHEMBL3994576 | 0.85 | ROCK2 (0.30) | — | |
| SCHEMBL3989191 | 0.85 | GPR142 (0.31) | — | |
| SCHEMBL13795620 | 0.85 | GPR142 (0.31) | — | |
| SCHEMBL13796441 | 0.80 | — | — | |
| SCHEMBL3989402 | 0.80 | — | — | |
| SCHEMBL3987569 | 0.80 | PTPRB (0.35) | — | |
| SCHEMBL13796830 | 0.80 | PTPRB (0.35) | — | |
| SCHEMBL13796746 | 0.80 | — | — |
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-7553969-B1 | Substituted phenethylamine derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-06-30 | — | — | US | claimed |
| EP-1149843-A1 | SUBSTITUTED PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-10-31 | — | — | EP | claimed |
| US-7553969-B1 | Substituted phenethylamine derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-06-30 | — | — | US | disclosed |
| EP-1149843-A1 | SUBSTITUTED PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-10-31 | — | — | EP | disclosed |