⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1193058 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL6351644 | 0.94 | — | — | |
| Octane SCHEMBL9146243 | 0.92 | CYP1A2 (0.76) | — | |
| SCHEMBL29021917 | 0.92 | CYP1A2 (0.76) | — | |
| SCHEMBL74183 | 0.92 | — | — | |
| Dimethylamine SCHEMBL5948617 | 0.90 | CYP1A2 (0.73) | — | |
| SCHEMBL25389971 | 0.89 | CYP1A2 (1.00) | — | |
| Butylcyclohexane SCHEMBL72010 | 0.89 | CYP1A2 (1.00) | — | |
| Butylcyclohexane SCHEMBL2429501 | 0.89 | CYP1A2 (1.00) | — | |
| SCHEMBL133013 | 0.89 | CYP1A2 (1.00) | — |
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-117820559-A | Radiation curable resin composition and method for preparing the same | 苏州铼新三维科技有限公司 | 2024-04-05 | — | — | CN | disclosed |