⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14555818 | 0.69 | — | — | |
| SCHEMBL15039267 | 0.65 | — | — | |
| SCHEMBL19706982 | 0.61 | — | — | |
| SCHEMBL1421205 | 0.61 | — | — | |
| SCHEMBL5029738 | 0.59 | KDM1A (0.46) | — | |
| SCHEMBL24492755 | 0.59 | — | — | |
| SCHEMBL17831101 | 0.57 | PARP1 (0.34) | — | |
| SCHEMBL23878706 | 0.57 | PARP10 (0.47) | — | |
| SCHEMBL13239080 | 0.56 | SRD5A1 (0.37) | — | |
| SCHEMBL15871033 | 0.56 | PNMT (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616460-B1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMA CO LTD (JP) | 2015-10-28 | — | — | EP | disclosed |
| EP-2411398-B1 | METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2014-12-17 | — | — | EP | disclosed |
| WO-2013137479-A1 | DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-09-19 | — | — | WO | disclosed |