⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL2942408 | 1.00 | — | — | |
| Hydrogen Sulfide SCHEMBL28004328 | 0.97 | — | — | |
| SCHEMBL4303682 | 0.96 | — | — | |
| SCHEMBL973070 | 0.96 | — | — | |
| Benzene SCHEMBL27748340 | 0.94 | — | — | |
| SCHEMBL23039656 | 0.93 | — | — | |
| Iodide SCHEMBL8817348 | 0.93 | — | — | |
| SCHEMBL1890782 | 0.93 | — | — | |
| SCHEMBL11635281 | 0.93 | — | — | |
| SCHEMBL17099923 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109096357-B | Synthesis and application of naphthalene imide derivative containing thioether and cholesterol ester | 大连理工大学 | 2020-07-14 | — | — | CN | disclosed |
| CN-106674216-A | Myricetin derivative containing thiadiazole thioether structure and preparation method thereof | 贵州大学 | 2017-05-17 | — | — | CN | disclosed |
| CN-106674216-A | Myricetin derivative containing thiadiazole thioether structure and preparation method thereof | 贵州大学 | 2017-05-17 | — | — | CN | disclosed |
| CN-104327013-A | Preparation method of thiadiazole sulfoxide compound | ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD | 2015-02-04 | — | — | CN | disclosed |
| WO-2014146275-A1 | METHOD FOR SYNTHESIZING THIADIAZOLE SULFOXIDE COMPOUND | 浙江省诸暨合力化学对外贸易有限公司 (CN) | 2014-09-25 | — | — | WO | disclosed |