⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2880168 | 0.92 | — | — | |
| SCHEMBL7167271 | 0.90 | EPHX1 (0.44) | — | |
| SCHEMBL7168977 | 0.90 | EPHX1 (0.44) | — | |
| SCHEMBL7168259 | 0.90 | EPHX1 (0.44) | — | |
| SCHEMBL106108 | 0.83 | — | — | |
| SCHEMBL20025538 | 0.75 | — | — | |
| SCHEMBL22837859 | 0.74 | — | — | |
| SCHEMBL308609 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL26601 | 0.72 | — | — | |
| SCHEMBL1751592 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6569449-B1 | For treatment of eating disorders, narcotic dependence and alcoholism. | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2003-05-27 | — | — | US | claimed |
| US-20070049620-A1 | Cyclic tertiary amine compound | SANKYO COMPANY, LIMITED (JP) | 2007-03-01 | — | — | US | disclosed |
| EP-1632488-A1 | CYCLIC TERTIARY AMINE COMPOUND | Sankyo Company, Limited (JP) | 2006-03-08 | — | — | EP | disclosed |
| US-6569449-B1 | For treatment of eating disorders, narcotic dependence and alcoholism. | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION | 2003-05-27 | — | — | US | disclosed |
| US-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |
| EP-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |