⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5056 | 0.89 | — | — | |
| Hypochlorous Acid SCHEMBL8651633 | 0.89 | TSHR (0.50) | — | |
| Hypochlorous Acid SCHEMBL4893975 | 0.89 | — | — | |
| Hypochlorous Acid SCHEMBL28331135 | 0.89 | — | — | |
| SCHEMBL27810756 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL19611464 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL2942356 | 0.80 | — | — | |
| SCHEMBL26185869 | 0.80 | — | — | |
| Hypochlorous Acid SCHEMBL22158163 | 0.80 | — | — | |
| SCHEMBL27556705 | 0.80 | — | — |
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-107978759-A | A kind of used as negative electrode of Li-ion battery combined conductive agent and preparation method, negative electrode of lithium ion battery and lithium ion battery | 中航锂电（洛阳）有限公司 | 2018-05-01 | — | — | CN | disclosed |