⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702313 | 0.96 | — | — | |
| SCHEMBL9222621 | 0.96 | MAPK1 (0.47) | — | |
| SCHEMBL1472964 | 0.92 | — | — | |
| SCHEMBL28106448 | 0.92 | — | — | |
| SCHEMBL28131345 | 0.92 | — | — | |
| SCHEMBL30311336 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL8861881 | 0.92 | — | — | |
| SCHEMBL3748169 | 0.92 | — | — | |
| SCHEMBL21800957 | 0.92 | — | — | |
| Hydrogen Sulfide SCHEMBL27730687 | 0.92 | — | — |
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-104528819-B | The recovery method of foreign metal and precipitating reagent in a kind of production process of titanium pigment | 辽宁石化职业技术学院 | 2016-10-05 | — | — | CN | disclosed |