⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10090118 | 0.84 | — | — | |
| SCHEMBL21396799 | 0.82 | PKM (0.31) | — | |
| SCHEMBL1754774 | 0.81 | — | — | |
| SCHEMBL521910 | 0.79 | — | — | |
| SCHEMBL10090119 | 0.74 | — | — | |
| SCHEMBL35991 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL9935180 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL9664050 | 0.72 | CYP1A2 (0.47) | — | |
| SCHEMBL31520167 | 0.72 | HTT (0.31) | — | |
| SCHEMBL213891 | 0.72 | ALDH1A1 (0.33) | — |
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-2233475-A1 | Epoxycyclohexane vinyl ether compounds and their use in polymerizable compositions | Daicel Chemical Industries, Ltd. (JP) | 2010-09-29 | — | — | EP | disclosed |
| EP-1972622-A2 | Vinyl ether compounds and polymerizable compositions | Daicel Chemical Industries, Ltd. (JP) | 2008-09-24 | — | — | EP | disclosed |