⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15809764 | 1.00 | ALDH1A1 (0.46) | — | |
| SCHEMBL15809762 | 1.00 | ALDH1A1 (0.46) | — | |
| SCHEMBL875159 | 1.00 | — | — | |
| SCHEMBL14971380 | 1.00 | ALDH1A1 (0.46) | — | |
| SCHEMBL875160 | 1.00 | — | — | |
| SCHEMBL3406062 | 1.00 | — | — | |
| SCHEMBL18920303 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL13075481 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL17798929 | 0.92 | ALDH1A1 (0.52) | — | |
| SCHEMBL17798927 | 0.92 | ALDH1A1 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112592326-B | Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene | 常州大学 | 2022-05-17 | — | — | CN | disclosed |
| CN-112592326-A | Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene | 常州大学 | 2021-04-02 | — | — | CN | disclosed |