⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30046722 | 0.80 | — | — | |
| SCHEMBL3779077 | 0.74 | — | — | |
| SCHEMBL5998928 | 0.73 | — | — | |
| SCHEMBL13971148 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL17906165 | 0.72 | — | — | |
| SCHEMBL15158131 | 0.70 | — | — | |
| SCHEMBL20922866 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL179683 | 0.69 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28004279 | 0.68 | — | — | |
| SCHEMBL15912396 | 0.68 | — | — |
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-111978836-A | PVC floor wear-resistant coating | 速固得感光新材料(惠州)有限公司 | 2020-11-24 | — | — | CN | disclosed |