⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2233167 | 0.82 | — | — | |
| Barium SCHEMBL29397276 | 0.82 | — | — | |
| SCHEMBL3229115 | 0.82 | — | — | |
| SCHEMBL8395840 | 0.82 | — | — | |
| SCHEMBL7212321 | 0.82 | — | — | |
| SCHEMBL30033011 | 0.82 | — | — | |
| SCHEMBL80175 | 0.82 | — | — | |
| SCHEMBL15869656 | 0.82 | — | — | |
| SCHEMBL7803227 | 0.67 | — | — | |
| SCHEMBL7735364 | 0.67 | — | — |
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-114335568-A | Composite electrode material with low thermal expansion coefficient, preparation method and application | 国家能源集团新能源有限责任公司 | 2022-04-12 | — | — | CN | disclosed |