⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11660724 | 0.94 | — | — | |
| Ethylene SCHEMBL5997155 | 0.94 | — | — | |
| SCHEMBL22462309 | 0.93 | — | — | |
| SCHEMBL14913 | 0.93 | — | — | |
| SCHEMBL23166494 | 0.86 | — | — | |
| SCHEMBL15634537 | 0.86 | — | — | |
| SCHEMBL7696802 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL633822 | 0.86 | — | — | |
| Hydroxyl Radical SCHEMBL7103013 | 0.86 | — | — | |
| Charcoal, Activated SCHEMBL168568 | 0.86 | — | — |
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-106745380-A | A kind of polyvinyl alcohol modification aluminium polychloride and preparation method and application | 南京工业职业技术学院 | 2017-05-31 | — | — | CN | disclosed |