⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6576075 | 1.00 | — | — | |
| SCHEMBL14755359 | 0.76 | — | — | |
| SCHEMBL7327638 | 0.71 | OPRM1 (0.31) | — | |
| SCHEMBL3979443 | 0.66 | HRH3 (0.38) | — | |
| Bromide SCHEMBL6890863 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL7305562 | 0.61 | — | — | |
| SCHEMBL5731681 | 0.61 | — | — | |
| SCHEMBL14753162 | 0.61 | — | — | |
| SCHEMBL19257758 | 0.60 | SIGMAR1 (0.31) | — | |
| SCHEMBL4541902 | 0.59 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1154983-B1 | NOVEL SUBSTITUTED 3-PHENOXY AND 3-PHENYLALKYLOXY-2-PHENYL-PROPYLAMINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-04-28 | — | — | EP | disclosed |
| US-6441237-B1 | DRUGS; ANTIARRHTHYMIA AGENTS, ANTIISCHEMIC AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-08-27 | — | — | US | disclosed |
| EP-1154983-A1 | NOVEL SUBSTITUTED 3-PHENOXY AND 3-PHENYLALKYLOXY-2-PHENYL-PROPYLAMINES | Boehringer Ingelheim Pharma KG (DE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000048987-A1 | NOVEL SUBSTITUTED 3-PHENOXY AND 3-PHENYLALKYLOXY-2-PHENYL-PROPYLAMINES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-08-24 | — | — | WO | disclosed |