⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29242847 | 0.80 | MAOA (0.33) | — | |
| SCHEMBL569538 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL10445564 | 0.75 | — | — | |
| SCHEMBL1628640 | 0.75 | PTGS1 (0.34) | — | |
| SCHEMBL29514811 | 0.75 | PTGS1 (0.34) | — | |
| SCHEMBL29242849 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL3662900 | 0.71 | HTT (0.30) | — | |
| SCHEMBL29242848 | 0.68 | PSEN1 (0.38) | — | |
| SCHEMBL20819462 | 0.66 | PTGS1 (0.45) | — | |
| SCHEMBL2142826 | 0.66 | PSEN1 (0.34) | — |
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-0129906-B1 | PHENOXYALKOXY-3,4-DIHYDRO-2H-1-BENZOPYRAN DERIVATIVES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-06-08 | — | — | EP | disclosed |