⚠ 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 | |
|---|---|---|---|---|
| Cis-3-Hexenol SCHEMBL309687 | 0.97 | — | — | |
| Cis-3-Hexenol SCHEMBL1448556 | 0.97 | ALDH1A1 (0.42) | — | |
| Cis-3-Hexenol SCHEMBL112920 | 0.97 | — | — | |
| Cis-3-Hexenol SCHEMBL1448560 | 0.97 | ALDH1A1 (0.42) | — | |
| Cis-3-Hexenol SCHEMBL96295 | 0.97 | — | — | |
| Cis-3-Hexenol SCHEMBL7934315 | 0.94 | — | — | |
| Cis-3-Hexenol SCHEMBL29548508 | 0.94 | — | — | |
| SCHEMBL28497667 | 0.94 | ALDH1A1 (0.41) | — | |
| Cis-3-Hexenol SCHEMBL31316980 | 0.94 | — | — | |
| Cis-3-Hexenol SCHEMBL27810331 | 0.94 | — | — |
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-108070576-A | A kind of tea tree glycosyl transferase mutant and its application in plant insect defence | 安徽农业大学 | 2018-05-25 | — | — | CN | disclosed |