⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL320827 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL320409 | 0.80 | — | — | |
| SCHEMBL17328012 | 0.76 | — | — | |
| SCHEMBL29153378 | 0.76 | ALDH1A1 (0.60) | — | |
| SCHEMBL320782 | 0.76 | — | — | |
| SCHEMBL22702445 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL575285 | 0.74 | — | — | |
| SCHEMBL1461420 | 0.72 | — | — | |
| SCHEMBL28051357 | 0.72 | — | — | |
| SCHEMBL320246 | 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-112349959-A | High-nickel lithium ion battery non-aqueous electrolyte and lithium ion battery | 杉杉新材料（衢州）有限公司 | 2021-02-09 | — | — | CN | claimed |