⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL501539 | 0.76 | GPR55 (0.32) | — | |
| SCHEMBL29612236 | 0.76 | GAA (0.34) | — | |
| SCHEMBL19118382 | 0.71 | HMGCR (0.35) | — | |
| SCHEMBL1937304 | 0.71 | GAA (0.32) | — | |
| SCHEMBL1719146 | 0.71 | GAA (0.33) | — | |
| SCHEMBL8771932 | 0.69 | GAA (0.33) | — | |
| SCHEMBL1695282 | 0.69 | HMGCR (0.36) | — | |
| SCHEMBL697947 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1695280 | 0.69 | HMGCR (0.37) | — | |
| SCHEMBL207800 | 0.68 | ALDH1A1 (0.36) | — |
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-112654657-A | Storage stable thermally curable hybrid epoxy-functional compositions and transparent thermally cured coatings prepared therefrom | 依视路国际公司 | 2021-04-13 | — | — | CN | disclosed |