⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL2359135 | 0.91 | ALDH1A1 (0.30) | — | |
| Ethylene Glycol SCHEMBL2152804 | 0.91 | — | — | |
| SCHEMBL28132669 | 0.83 | — | — | |
| SCHEMBL9501078 | 0.83 | — | — | |
| SCHEMBL20751 | 0.83 | — | — | |
| SCHEMBL27603050 | 0.82 | TSHR (0.36) | — | |
| Ethylene Glycol SCHEMBL21810762 | 0.81 | — | — | |
| SCHEMBL2352876 | 0.80 | — | — | |
| SCHEMBL15508318 | 0.80 | — | — | |
| Methane SCHEMBL14482230 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0362137-A2 | Molded polymers with hydrophilic surfaces, and process for making them | CIBA-GEIGY AG (CH) | 1990-04-04 | — | — | EP | disclosed |