⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10288808 | 0.81 | — | — | |
| SCHEMBL16269872 | 0.72 | HRH1 (0.43) | — | |
| SCHEMBL25101225 | 0.71 | — | — | |
| SCHEMBL175595 | 0.71 | FFAR1 (0.41) | — | |
| SCHEMBL9797653 | 0.70 | NOS3 (0.40) | — | |
| SCHEMBL28285247 | 0.70 | — | — | |
| SCHEMBL20207969 | 0.67 | NOS2 (0.47) | — | |
| SCHEMBL5660332 | 0.65 | — | — | |
| SCHEMBL309452 | 0.65 | — | — | |
| SCHEMBL30390174 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |