⚠ 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 | |
|---|---|---|---|---|
| Allyl Alcohol SCHEMBL4940557 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL3782 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL1331425 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL1332489 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL2287551 | 0.83 | — | — | |
| Allyl Alcohol SCHEMBL5382706 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL9845385 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL4654133 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL4601219 | 0.82 | — | — | |
| Allyl Alcohol SCHEMBL4665160 | 0.82 | — | — |
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-105087704-B | Controllable multi-enzyme cascade reaction for synthesizing optical pure allylic epoxy ketone or alcohol | 中国科学院成都生物研究所 | 2020-02-21 | — | — | CN | disclosed |
| CN-105087704-A | New method for using controllable multi-enzyme cascade reaction to synthesize optical pure allylic epoxy ketone or alcohol | CHENGDU INST BIOLOGY CAS | 2015-11-25 | — | — | CN | disclosed |