⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1263659 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL2942408 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL16098395 | 0.97 | — | — | |
| SCHEMBL973070 | 0.93 | — | — | |
| SCHEMBL4303682 | 0.93 | — | — | |
| Benzene SCHEMBL27748340 | 0.90 | — | — | |
| SCHEMBL23039656 | 0.90 | — | — | |
| SCHEMBL11635281 | 0.90 | — | — | |
| Iodide SCHEMBL8817348 | 0.90 | — | — | |
| SCHEMBL5305550 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104542628-B | The complex composition and preparation of a kind of azoles of bacterium containing methylsulfonyl and Thiodiazole-copper | 广西田园生化股份有限公司 | 2017-03-29 | — | — | CN | disclosed |
| CN-104542628-A | Compound composition containing 2-p-fluorophenyl-5-methylsulfonyl-1,3,4-oxadiazole and thiodiazole copper and preparation containing2-p-fluorophenyl-5-methylsulfonyl-1,3,4-oxadiazole and thiodiazole copper | GAUNGXI TIANYUAN BIOCHEMISTRY | 2015-04-29 | — | — | CN | disclosed |