⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10186826 | 0.88 | DRD4 (0.32) | — | |
| SCHEMBL10186802 | 0.88 | — | — | |
| SCHEMBL10186829 | 0.88 | DRD4 (0.32) | — | |
| SCHEMBL22172294 | 0.80 | CYP2D6 (0.31) | — | |
| SCHEMBL22036847 | 0.74 | CHRM2 (0.38) | — | |
| SCHEMBL12391443 | 0.67 | — | — | |
| SCHEMBL761664 | 0.67 | NEK2 (0.32) | — | |
| SCHEMBL10186809 | 0.67 | BRD4 (0.40) | — | |
| SCHEMBL29348312 | 0.64 | — | — | |
| SCHEMBL1753681 | 0.63 | SOS1 (0.36) | — |
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-3889137-A1 | CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT | Nippon Soda Co., Ltd. (JP) | 2021-10-06 | — | — | EP | disclosed |