⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL7581945 | 0.91 | — | — | |
| Tetrahydrofuran SCHEMBL4662851 | 0.89 | ALDH1A1 (0.58) | — | |
| Dioxane SCHEMBL9121247 | 0.88 | ALDH1A1 (0.65) | — | |
| Tetrahydrofuran SCHEMBL4290958 | 0.87 | ALDH1A1 (0.55) | — | |
| Butyl Alcohol SCHEMBL10387314 | 0.87 | ALDH1A1 (0.55) | — | |
| Dioxane SCHEMBL1476502 | 0.86 | ALDH1A1 (0.61) | — | |
| Dioxane SCHEMBL29150832 | 0.86 | ALDH1A1 (0.61) | — | |
| Butyl Alcohol SCHEMBL10387318 | 0.85 | ALDH1A1 (0.52) | — | |
| Cyclohexane SCHEMBL9176296 | 0.84 | ALDH1A1 (0.79) | — | |
| Butyl Alcohol SCHEMBL8518314 | 0.84 | — | — |
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-110156952-A | One kind can the polyurethane toughened resin of dual cure and the preparation method and application thereof | 武汉长盈鑫科技有限公司 | 2019-08-23 | — | — | CN | disclosed |