⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3781467 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL16635550 | 0.84 | — | — | |
| SCHEMBL1412413 | 0.81 | NPSR1 (0.42) | — | |
| SCHEMBL8915968 | 0.69 | — | — | |
| SCHEMBL28299442 | 0.67 | — | — | |
| SCHEMBL28299444 | 0.67 | — | — | |
| SCHEMBL2186183 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL27605193 | 0.64 | SRC (0.32) | — | |
| SCHEMBL15165797 | 0.59 | PTGER4 (0.35) | — | |
| SCHEMBL3401329 | 0.59 | KDM4E (0.40) | — |
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-105636947-B | N- heteroaryl (thio) carbonyl -2- (Benzocycloalkene -1- base) cyclammonium and its purposes as fungicide | 拜耳作物科学股份公司 | 2019-05-07 | — | — | CN | disclosed |