⚠ 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 SCHEMBL28057455 | 0.95 | — | — | |
| Carbamic Acid SCHEMBL201906 | 0.67 | — | — | |
| Carbamic Acid SCHEMBL18765304 | 0.67 | — | — | |
| Carbamic Acid SCHEMBL11241925 | 0.67 | — | — | |
| Carbamic Acid SCHEMBL460108 | 0.67 | — | — | |
| Carbamic Acid SCHEMBL3845940 | 0.67 | — | — | |
| Bicarbonate SCHEMBL300524 | 0.65 | — | — | |
| Bicarbonate SCHEMBL9467175 | 0.65 | — | — | |
| Bicarbonate SCHEMBL2523713 | 0.65 | — | — | |
| Bicarbonate SCHEMBL7563121 | 0.65 | CA1 (0.83) | — |
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-105339431-A | Polyarylene sulfide resin composition and method for producing same | TORAY INDUSTRIES | 2016-02-17 | — | — | CN | claimed |
| CN-105339431-B | Polyarylene sulfide resin composition and its manufacture method | 东丽株式会社 | 2017-12-22 | — | — | CN | disclosed |
| CN-105339431-A | Polyarylene sulfide resin composition and method for producing same | TORAY INDUSTRIES | 2016-02-17 | — | — | CN | disclosed |