⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7413054 | 0.82 | — | — | |
| SCHEMBL12553823 | 0.77 | — | — | |
| SCHEMBL501592 | 0.77 | — | — | |
| SCHEMBL2642495 | 0.77 | — | — | |
| SCHEMBL29893902 | 0.77 | — | — | |
| SCHEMBL116309 | 0.77 | — | — | |
| SCHEMBL1348600 | 0.77 | — | — | |
| SCHEMBL2642497 | 0.77 | — | — | |
| SCHEMBL6468413 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2965940 | 0.76 | LOXL2 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015175855-A1 | CHEMOKINE CXCR4 AND CCR5 RECEPTOR MODULATORS AND USED RELATED THERETO | EMORY UNIVERSITY (US) | 2015-11-19 | — | — | WO | disclosed |
| US-7553969-B1 | Substituted phenethylamine derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-06-30 | — | — | US | disclosed |
| CN-1343219-A | Substituted phenethylamine derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2002-04-03 | — | — | CN | disclosed |
| EP-1149843-A1 | SUBSTITUTED PHENETHYLAMINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-10-31 | — | — | EP | disclosed |
| US-6214847-B1 | TREATMENT OF COGNITIVE OR NEUROLOGICAL DYSFUNCTION | DUPONT PHARMACEUTICALS COMPANY | 2001-04-10 | — | — | US | disclosed |
| EP-1003722-A1 | CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME | Du Pont Pharmaceuticals Company (US) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999009010-A1 | CRYSTALLINE 10,10-BIS((2-FLUORO-4-PYRIDINYL)METHYL)-9(10H)-ANTHRACENONE AND AN IMPROVED PROCESS FOR PREPARING THE SAME | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-02-25 | — | — | WO | disclosed |