⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22261429 | 1.00 | — | — | |
| SCHEMBL21633913 | 1.00 | — | — | |
| SCHEMBL28259762 | 1.00 | — | — | |
| SCHEMBL28609275 | 1.00 | — | — | |
| SCHEMBL294816 | 1.00 | — | — | |
| SCHEMBL22230448 | 1.00 | — | — | |
| SCHEMBL25293117 | 0.87 | — | — | |
| SCHEMBL7157431 | 0.87 | — | — | |
| Water SCHEMBL22835240 | 0.87 | — | — | |
| SCHEMBL9950839 | 0.87 | — | — |
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-112952085-B | Gradient high-nickel single crystal ternary material, preparation method thereof and battery using material | 沁新集团(天津)新能源技术研究院有限公司 | 2023-01-17 | — | — | CN | disclosed |