⚠ 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 | |
|---|---|---|---|---|
| Vinyl Ether SCHEMBL272382 | 0.89 | ALDH1A1 (0.35) | — | |
| 1,6-Hexanediol SCHEMBL29035894 | 0.85 | LMNA (0.31) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL5857734 | 0.82 | TSHR (0.37) | — | |
| Vinyl Ether SCHEMBL6743249 | 0.82 | NFKB1 (0.35) | — | |
| Vinyl Ether SCHEMBL27599924 | 0.82 | ODC1 (0.38) | — | |
| Vinyl Ether SCHEMBL3480791 | 0.80 | CDC25A (0.31) | — | |
| 1,6-Hexanediol SCHEMBL29162251 | 0.78 | CDC25A (0.33) | — | |
| Vinyl Ether SCHEMBL3127734 | 0.77 | — | — | |
| Vinyl Ether SCHEMBL6895318 | 0.76 | — | — | |
| SCHEMBL5143193 | 0.76 | MEN1 (0.42) | — |
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-114829511-B | UV-LED radiation-curable offset printing ink and printing method | 锡克拜控股有限公司 | 2023-10-24 | — | — | CN | disclosed |