⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9693065 | 0.94 | — | — | |
| SCHEMBL4392068 | 0.75 | — | — | |
| SCHEMBL9690889 | 0.75 | — | — | |
| Propene SCHEMBL11591674 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL1286393 | 0.68 | NPSR1 (0.33) | — | |
| SCHEMBL9693051 | 0.67 | — | — | |
| Selenium SCHEMBL11492109 | 0.66 | NPSR1 (0.32) | — | |
| SCHEMBL21414832 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL28489275 | 0.66 | NPSR1 (0.32) | — | |
| SCHEMBL16628376 | 0.66 | NPSR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252983-B1 | SALTS OF N-(VINYLOXIETHYL)DITHIOCARBAMIC ACID, METHOD OF OBTAINING THEREOF AND PESTICIDES BASED ON THEM | IRKUTSKY INSTITUT ORGANICHESKOI KHIMII SIBIRSKOGO OTDELENIA AKADEMII NAUK SSSR (SU) | 1992-09-09 | — | — | EP | claimed |
| EP-0252983-A1 | SALTS OF N-(VINYLOXIETHYL)DITHIOCARBAMIC ACID, METHOD OF OBTAINING THEREOF AND PESTICIDES BASED ON THEM | IRKUTSKY INSTITUT ORGANICHESKOI KHIMII SIBIRSKOGO OTDELENIA AKADEMII NAUK SSSR (SU) | 1988-01-20 | — | — | EP | claimed |
| EP-0252983-B1 | SALTS OF N-(VINYLOXIETHYL)DITHIOCARBAMIC ACID, METHOD OF OBTAINING THEREOF AND PESTICIDES BASED ON THEM | IRKUTSKY INSTITUT ORGANICHESKOI KHIMII SIBIRSKOGO OTDELENIA AKADEMII NAUK SSSR (SU) | 1992-09-09 | — | — | EP | disclosed |
| EP-0252983-A1 | SALTS OF N-(VINYLOXIETHYL)DITHIOCARBAMIC ACID, METHOD OF OBTAINING THEREOF AND PESTICIDES BASED ON THEM | IRKUTSKY INSTITUT ORGANICHESKOI KHIMII SIBIRSKOGO OTDELENIA AKADEMII NAUK SSSR (SU) | 1988-01-20 | — | — | EP | disclosed |
| EP-0252983-A1 | SALTS OF N-(VINYLOXIETHYL)DITHIOCARBAMIC ACID, METHOD OF OBTAINING THEREOF AND PESTICIDES BASED ON THEM | IRKUTSKY INSTITUT ORGANICHESKOI KHIMII SIBIRSKOGO OTDELENIA AKADEMII NAUK SSSR (SU) | 1988-01-20 | — | — | EP | disclosed |