⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28181494 | 0.79 | GABRA1 (0.33) | — | |
| SCHEMBL28182340 | 0.77 | MAPK1 (0.30) | — | |
| SCHEMBL28744331 | 0.68 | NOS3 (0.31) | — | |
| SCHEMBL28249299 | 0.65 | MAPK1 (0.33) | — | |
| SCHEMBL7093744 | 0.53 | ALDH1A1 (0.33) | — | |
| SCHEMBL20088851 | 0.53 | ALDH1A1 (0.38) | — | |
| SCHEMBL1037102 | 0.53 | NOS1 (0.56) | — | |
| SCHEMBL1037101 | 0.53 | NOS1 (0.56) | — | |
| SCHEMBL755432 | 0.52 | ALDH1A1 (0.47) | — | |
| SCHEMBL20198346 | 0.52 | ALOX12 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105085732-B | A kind of catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2017-11-07 | — | — | CN | claimed |