⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17573814 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL28215393 | 0.67 | — | — | |
| SCHEMBL12712176 | 0.63 | CA1 (0.31) | — | |
| SCHEMBL24075489 | 0.60 | MEN1 (0.32) | — | |
| SCHEMBL18469061 | 0.57 | — | — | |
| SCHEMBL31281536 | 0.57 | — | — | |
| SCHEMBL14685527 | 0.56 | — | — | |
| SCHEMBL11706224 | 0.54 | — | — | |
| SCHEMBL31282076 | 0.53 | — | — | |
| SCHEMBL17795777 | 0.52 | MAOA (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1827427-B1 | ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARM BV (NL) | 2008-07-23 | — | — | EP | disclosed |