⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22879361 | 0.77 | BCHE (0.36) | — | |
| SCHEMBL21311997 | 0.77 | ACHE (0.39) | — | |
| SCHEMBL22879333 | 0.72 | PARP1 (0.38) | — | |
| SCHEMBL9578742 | 0.67 | — | — | |
| SCHEMBL22879435 | 0.67 | BCHE (0.47) | — | |
| SCHEMBL14422967 | 0.65 | DRD2 (0.31) | — | |
| SCHEMBL17936810 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL22879561 | 0.65 | ACP3 (0.37) | — | |
| SCHEMBL13673463 | 0.64 | CYP2D6 (0.33) | — | |
| SCHEMBL21311775 | 0.63 | CYP2A6 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |