⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48624 | 0.80 | — | — | |
| Water SCHEMBL27286505 | 0.78 | GAA (0.46) | — | |
| SCHEMBL2042195 | 0.78 | — | — | |
| SCHEMBL9824418 | 0.77 | GAA (0.44) | — | |
| SCHEMBL949835 | 0.74 | GAA (0.57) | — | |
| SCHEMBL30438020 | 0.74 | GAA (0.57) | — | |
| SCHEMBL12643965 | 0.74 | — | — | |
| Ethyl Acetate SCHEMBL14832394 | 0.72 | ALDH1A1 (0.58) | — | |
| SCHEMBL28031923 | 0.72 | GAA (0.40) | — | |
| SCHEMBL3895519 | 0.72 | — | — |
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-108752878-A | A kind of fibre reinforced thermoplastic polyester | 江苏澳盛复合材料科技有限公司 | 2018-11-06 | — | — | CN | disclosed |