⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8718975 | 1.00 | — | — | |
| SCHEMBL11233388 | 0.90 | GBA1 (0.30) | — | |
| SCHEMBL8714412 | 0.81 | CYP2D6 (0.36) | — | |
| SCHEMBL8714415 | 0.81 | CYP2D6 (0.36) | — | |
| SCHEMBL4546629 | 0.81 | PIK3CD (0.31) | — | |
| SCHEMBL8714425 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL8714421 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL8720525 | 0.77 | MAPK1 (0.40) | — | |
| SCHEMBL8714043 | 0.76 | SLC6A3 (0.35) | — | |
| SCHEMBL8714046 | 0.76 | SLC6A3 (0.35) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708105-B1 | 5-HT4 receptor agonists | NISSHIN FLOUR MILLING CO (JP) | 1998-12-23 | — | — | EP | disclosed |
| EP-0708105-A1 | 5-HT4 receptor agonists | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1996-04-24 | — | — | EP | disclosed |
| US-4352802-A | DESALINATION OF SEA WATER | BEECHAM GROUP LIMITED (GB) | 1982-10-05 | — | — | US | disclosed |
| EP-0041817-A1 | Benzamide derivatives, process for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1981-12-16 | — | — | EP | disclosed |