⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7594604 | 0.82 | — | — | |
| SCHEMBL7593728 | 0.82 | — | — | |
| SCHEMBL28093538 | 0.76 | — | — | |
| SCHEMBL24499 | 0.73 | — | — | |
| SCHEMBL8497775 | 0.73 | — | — | |
| SCHEMBL36915 | 0.73 | — | — | |
| Ethaneperoxoic Acid SCHEMBL8898688 | 0.71 | ALDH1A1 (0.39) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL2494129 | 0.71 | ALDH1A1 (0.47) | — | |
| Methane SCHEMBL25208404 | 0.71 | ALDH1A1 (0.41) | — | |
| Hydrogen Peroxide SCHEMBL6657321 | 0.71 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4960829-A | CURABLE BLEND OF HIGH MOLECULAR WEIGHT POLYMER, ETHYLENE-ALPHA-OLEFIN-NONCONJUGATED POLYENE TERPOLYMER AND CURATIVE | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1990-10-02 | — | — | US | disclosed |