⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8714030 | 0.84 | CYP2D6 (0.33) | — | |
| SCHEMBL8718840 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL3410709 | 0.79 | CHRNA7 (0.32) | — | |
| SCHEMBL8715017 | 0.79 | CHRM1 (0.32) | — | |
| SCHEMBL8720525 | 0.79 | MAPK1 (0.40) | — | |
| SCHEMBL8717542 | 0.78 | OPRM1 (0.34) | — | |
| SCHEMBL8716683 | 0.77 | OPRM1 (0.36) | — | |
| SCHEMBL4546629 | 0.76 | PIK3CD (0.31) | — | |
| SCHEMBL8714076 | 0.76 | — | — | |
| SCHEMBL3408479 | 0.75 | CHRNA7 (0.41) | — |
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 2 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 |