⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28437272 | 0.73 | — | — | |
| SCHEMBL31178353 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL394297 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL8465713 | 0.71 | — | — | |
| SCHEMBL13042858 | 0.69 | — | — | |
| Lithium SCHEMBL30431097 | 0.69 | — | — | |
| SCHEMBL8465709 | 0.69 | CYP2C19 (0.31) | — | |
| SCHEMBL786815 | 0.69 | — | — | |
| SCHEMBL8463770 | 0.67 | — | — | |
| SCHEMBL25184743 | 0.67 | CTSA (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-110603681-B | Composition for gel polymer electrolyte, gel polymer electrolyte prepared from the composition, and lithium secondary battery including the gel polymer electrolyte | 株式会社LG新能源 | 2023-05-05 | — | — | CN | disclosed |