⚠ 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 | |
|---|---|---|---|---|
| Sulfur Dioxide SCHEMBL9456700 | 1.00 | — | — | |
| Bicarbonate SCHEMBL28315203 | 0.87 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL1482408 | 0.87 | — | — | |
| Bicarbonate SCHEMBL28292801 | 0.82 | CA1 (0.56) | — | |
| Bicarbonate SCHEMBL29157215 | 0.82 | — | — | |
| Sulfur Dioxide SCHEMBL92 | 0.82 | — | — | |
| Sulfur Dioxide SCHEMBL945 | 0.82 | — | — | |
| Sulfur Dioxide SCHEMBL7998859 | 0.77 | — | — | |
| Benzene SCHEMBL10688719 | 0.77 | — | — | |
| Sulfur Dioxide SCHEMBL6680496 | 0.77 | — | — |
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-105669649-B | A kind of preparation method of esomeprazole and its salt | 寿光富康制药有限公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-107641816-A | The method of continuous electrochemical reaction unit and thioether class substrate continuous oxidation into sulfone | 凯莱英医药集团（天津）股份有限公司 | 2018-01-30 | — | — | CN | disclosed |
| CN-105669649-A | Preparation method of esomeprazole and salt thereof | 寿光富康制药有限公司 | 2016-06-15 | — | — | CN | disclosed |