⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5704781 | 0.79 | — | — | |
| SCHEMBL28666645 | 0.78 | — | — | |
| SCHEMBL3570159 | 0.71 | — | — | |
| SCHEMBL8517070 | 0.68 | — | — | |
| SCHEMBL30138912 | 0.68 | — | — | |
| SCHEMBL9810502 | 0.67 | — | — | |
| SCHEMBL1162298 | 0.67 | — | — | |
| SCHEMBL28407205 | 0.67 | — | — | |
| SCHEMBL4780093 | 0.67 | — | — | |
| SCHEMBL8643769 | 0.66 | — | — |
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-112898136-A | Method for preparing aldehyde compound by oxidative cleavage of carbon-carbon bond of terminal alkene compound | 中国科学院大连化学物理研究所 | 2021-06-04 | — | — | CN | disclosed |