⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL10489014 | 0.88 | — | — | |
| SCHEMBL28937379 | 0.83 | — | — | |
| SCHEMBL8376403 | 0.83 | — | — | |
| Propene SCHEMBL31602080 | 0.81 | TSHR (0.57) | — | |
| Propene SCHEMBL31120819 | 0.81 | — | — | |
| Ethylene SCHEMBL8829232 | 0.79 | — | — | |
| SCHEMBL29818845 | 0.78 | TSHR (1.00) | — | |
| SCHEMBL1938 | 0.78 | — | — | |
| Vinyl Ether SCHEMBL10729825 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL9656224 | 0.76 | — | — |
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-115606033-A | Electrochemical device and electronic device comprising same | 宁德新能源科技有限公司（CN） | 2023-01-13 | — | — | CN | claimed |