⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL689008 | 0.76 | — | — | |
| SCHEMBL946852 | 0.76 | — | — | |
| SCHEMBL7940990 | 0.76 | — | — | |
| SCHEMBL23097874 | 0.75 | — | — | |
| SCHEMBL23172667 | 0.71 | — | — | |
| SCHEMBL1105057 | 0.71 | — | — | |
| SCHEMBL18625353 | 0.69 | — | — | |
| SCHEMBL29335541 | 0.69 | — | — | |
| SCHEMBL25955534 | 0.69 | — | — | |
| SCHEMBL18391885 | 0.69 | — | — |
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-2020228649-A1 | SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2020-11-19 | — | — | WO | disclosed |