⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29185785 | 0.78 | RXRA (0.30) | — | |
| SCHEMBL28973645 | 0.71 | CYP1A2 (0.36) | — | |
| SCHEMBL11032915 | 0.70 | SIRT2 (0.37) | — | |
| SCHEMBL891527 | 0.70 | ALDH1A1 (0.45) | — | |
| SCHEMBL2222649 | 0.68 | CYP1A2 (0.35) | — | |
| SCHEMBL29112061 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL4495310 | 0.64 | CYP1A2 (0.44) | — | |
| SCHEMBL10434261 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL2135859 | 0.63 | CYP1A2 (0.36) | — | |
| SCHEMBL11323414 | 0.63 | CYP1A2 (0.35) | — |
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-115427421-A | 3' -ketoside compounds with slow release of volatile alcohols | 格莱克科学有限公司 | 2022-12-02 | — | — | CN | claimed |
| CN-115427421-A | 3' -ketoside compounds with slow release of volatile alcohols | 格莱克科学有限公司 | 2022-12-02 | — | — | CN | disclosed |