⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2032674 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL5791719 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL64894 | 1.00 | — | — | |
| SCHEMBL7620990 | 0.96 | CA1 (0.50) | — | |
| SCHEMBL7622081 | 0.96 | CA1 (0.50) | — | |
| SCHEMBL4338998 | 0.96 | CA1 (0.50) | — | |
| SCHEMBL419717 | 0.96 | CA1 (0.50) | — | |
| SCHEMBL4343877 | 0.96 | CA1 (0.50) | — | |
| SCHEMBL1643691 | 0.96 | CA1 (0.50) | — | |
| SCHEMBL663720 | 0.96 | — | — |
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-115443570-A | Anode-free lithium battery | 索尔维公司 | 2022-12-06 | — | — | CN | disclosed |