⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11324 | 0.70 | — | — | |
| SCHEMBL1781182 | 0.70 | — | — | |
| SCHEMBL9696969 | 0.66 | — | — | |
| SCHEMBL973659 | 0.64 | — | — | |
| Cyclooctane SCHEMBL14861339 | 0.64 | — | — | |
| SCHEMBL1554570 | 0.61 | — | — | |
| SCHEMBL14698470 | 0.58 | — | — | |
| SCHEMBL37711 | 0.58 | — | — | |
| SCHEMBL2451 | 0.58 | — | — | |
| SCHEMBL395468 | 0.57 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109932414-B | Rapid detection method for sulfur compounds in cigarette sidestream smoke | 中国烟草总公司郑州烟草研究院 | 2021-07-13 | — | — | CN | claimed |
| CN-109813797-B | Rapid detection method for sulfur compounds in cigarette mainstream smoke | 中国烟草总公司郑州烟草研究院 | 2021-07-06 | — | — | CN | claimed |
| CN-109932414-B | Rapid detection method for sulfur compounds in cigarette sidestream smoke | 中国烟草总公司郑州烟草研究院 | 2021-07-13 | — | — | CN | disclosed |
| CN-109813797-B | Rapid detection method for sulfur compounds in cigarette mainstream smoke | 中国烟草总公司郑州烟草研究院 | 2021-07-06 | — | — | CN | disclosed |
| CN-109932414-A | The rapid detection method of sulphur compound in a kind of cigarette side-stream smoke | 中国烟草总公司郑州烟草研究院 | 2019-06-25 | — | — | CN | disclosed |
| CN-109813797-A | The rapid detection method of sulphur compound in a kind of cigarette mainstream flue gas | 中国烟草总公司郑州烟草研究院 | 2019-05-28 | — | — | CN | disclosed |