⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14822861 | 1.00 | — | — | |
| SCHEMBL952545 | 0.73 | — | — | |
| SCHEMBL10049422 | 0.73 | — | — | |
| SCHEMBL11965827 | 0.73 | — | — | |
| SCHEMBL8142239 | 0.67 | — | — | |
| SCHEMBL684764 | 0.60 | — | — | |
| SCHEMBL13703812 | 0.60 | — | — | |
| SCHEMBL20310120 | 0.58 | — | — | |
| SCHEMBL14432479 | 0.58 | — | — | |
| SCHEMBL20380422 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200247755-A1 | ETHERS, SECONDARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. | 2020-08-06 | — | — | US | disclosed |
| EP-2086975-B1 | 7,8-DIHYDRO-1,6-NAPHTHYRIDIN-5(6H)-ONES AND RELATED BICYCLIC COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-14 | — | — | EP | disclosed |
| US-20070072857-A1 | Treating sleep disorders insomnia; 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(4-chloro-phenyl)-urea; restless leg syndrome, cardiovascular disorders, reducing blood clot | ARENA PHARMACEUTICALS (US) | 2007-03-29 | — | — | US | disclosed |