⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL9814620 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL15326 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28666050 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL27988755 | 0.94 | — | — | |
| Water SCHEMBL28018314 | 0.94 | — | — | |
| Dimethylamine SCHEMBL2828540 | 0.94 | ALDH1A1 (0.41) | — | |
| Phosphonic Acid SCHEMBL375803 | 0.86 | ALDH1A1 (0.36) | — | |
| Phosphoric Acid SCHEMBL10429681 | 0.86 | MMP2 (0.42) | — | |
| SCHEMBL9259256 | 0.86 | TDP1 (0.63) | — | |
| Methyl Phosphonate SCHEMBL6609688 | 0.84 | MMP2 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0417564-A2 | UV-curable copolymers | BASF Aktiengesellschaft (DE) | 1991-03-20 | — | — | EP | disclosed |
| EP-0414103-A2 | Copolymers based on olefinic unsaturated radical ring-opening ketene derivatives | BASF Aktiengesellschaft (DE) | 1991-02-27 | — | — | EP | disclosed |