⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3846874 | 0.70 | — | — | |
| SCHEMBL5580238 | 0.67 | — | — | |
| SCHEMBL7734579 | 0.67 | — | — | |
| SCHEMBL7734582 | 0.67 | — | — | |
| SCHEMBL27809569 | 0.67 | — | — | |
| SCHEMBL2965160 | 0.64 | — | — | |
| SCHEMBL7736487 | 0.64 | — | — | |
| SCHEMBL11334622 | 0.64 | — | — | |
| SCHEMBL269447 | 0.61 | — | — | |
| SCHEMBL2035588 | 0.61 | — | — |
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-110050017-A | Ethylene-vinyl alcohol copolymer composition pellet, and method for producing ethylene-vinyl alcohol copolymer composition pellet | 三菱化学株式会社 | 2019-07-23 | — | — | CN | disclosed |