⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL5258344 | 0.87 | — | — | |
| Butanone SCHEMBL28783274 | 0.86 | — | — | |
| Butanone SCHEMBL1141437 | 0.86 | — | — | |
| Butanone SCHEMBL10736663 | 0.86 | ALDH1A1 (0.91) | — | |
| Butanone SCHEMBL5050965 | 0.82 | — | — | |
| Butanone SCHEMBL27653114 | 0.82 | — | — | |
| Butanone SCHEMBL29133563 | 0.82 | — | — | |
| Butanone SCHEMBL4639960 | 0.82 | ALDH1A1 (0.83) | — | |
| Butanone SCHEMBL1039820 | 0.82 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL1510153 | 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-112480324-B | Raw material composition for preparing light-cured resin, light-cured resin prepared from raw material composition and application of light-cured resin | 中国科学院福建物质结构研究所 | 2022-07-19 | — | — | CN | disclosed |
| CN-112480324-A | Raw material composition for preparing light-cured resin, light-cured resin prepared from raw material composition and application of light-cured resin | 中国科学院福建物质结构研究所 | 2021-03-12 | — | — | CN | disclosed |