⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1003264 | 0.77 | — | — | |
| SCHEMBL27428693 | 0.76 | — | — | |
| SCHEMBL5142572 | 0.71 | — | — | |
| SCHEMBL15632758 | 0.70 | — | — | |
| SCHEMBL23709967 | 0.70 | — | — | |
| SCHEMBL23130368 | 0.70 | — | — | |
| SCHEMBL425943 | 0.69 | TDP1 (0.56) | — | |
| SCHEMBL4333859 | 0.69 | TDP1 (0.56) | — | |
| Water SCHEMBL21988146 | 0.67 | — | — | |
| Water SCHEMBL27508034 | 0.67 | — | — |
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 |