⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28316624 | 0.71 | — | — | |
| SCHEMBL28316308 | 0.71 | — | — | |
| SCHEMBL28315282 | 0.71 | — | — | |
| SCHEMBL3977182 | 0.66 | KDM4E (0.35) | — | |
| SCHEMBL28205585 | 0.62 | — | — | |
| SCHEMBL18398193 | 0.60 | — | — | |
| SCHEMBL14896231 | 0.59 | PGR (0.31) | — | |
| SCHEMBL544996 | 0.59 | — | — | |
| SCHEMBL28232182 | 0.59 | — | — | |
| SCHEMBL461703 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320472-A | A kind of preparation method of 3,4- dichloro 5- cyano isothiazole | 苏州开元民生科技股份有限公司 | 2019-02-12 | — | — | CN | claimed |
| CN-106458941-B | Use the manufacturing method of the isothiazole compounds of ether compound | 组合化学工业株式会社 | 2019-08-30 | — | — | CN | disclosed |
| CN-109320472-A | A kind of preparation method of 3,4- dichloro 5- cyano isothiazole | 苏州开元民生科技股份有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-109320472-A | A kind of preparation method of 3,4- dichloro 5- cyano isothiazole | 苏州开元民生科技股份有限公司 | 2019-02-12 | — | — | CN | disclosed |