⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL23145099 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL5051910 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL305062 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL1553575 | 0.82 | — | — | |
| SCHEMBL1470824 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL23149819 | 0.78 | — | — | |
| SCHEMBL2568066 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL7876704 | 0.67 | — | — | |
| Fluoride SCHEMBL1132679 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL6700712 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109468626-A | A kind of aluminum alloy mould plate surface layer passivating solution and preparation method thereof and passivation process | 中建三局第建设工程有限责任公司 | 2019-03-15 | — | — | CN | claimed |
| CN-109468626-A | A kind of aluminum alloy mould plate surface layer passivating solution and preparation method thereof and passivation process | 中建三局第建设工程有限责任公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-108138027-A | Hydrophilizing agent and method of hydrophilizing | 日涂表面处理化工有限公司 | 2018-06-08 | — | — | CN | disclosed |