⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8541541 | 0.71 | — | — | |
| SCHEMBL1960480 | 0.67 | — | — | |
| SCHEMBL6244573 | 0.67 | — | — | |
| SCHEMBL1087683 | 0.67 | — | — | |
| SCHEMBL1014130 | 0.65 | — | — | |
| SCHEMBL28104677 | 0.65 | — | — | |
| SCHEMBL9803309 | 0.65 | — | — | |
| SCHEMBL16271854 | 0.63 | — | — | |
| SCHEMBL9720494 | 0.63 | — | — | |
| SCHEMBL8772978 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0244962-B1 | SUBSTITUTED ALKYNIC THIOCYANATES, BIOCIDAL COMPOSITIONS CONTAINING THEM AND USES OF SUCH COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-03-06 | — | — | EP | claimed |
| EP-0244962-A1 | Substituted alkynic thiocyanates, biocidal compositions containing them and uses of such compositions | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-11 | — | — | EP | claimed |
| EP-0244962-B1 | SUBSTITUTED ALKYNIC THIOCYANATES, BIOCIDAL COMPOSITIONS CONTAINING THEM AND USES OF SUCH COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-03-06 | — | — | EP | disclosed |
| EP-0244962-A1 | Substituted alkynic thiocyanates, biocidal compositions containing them and uses of such compositions | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-11 | — | — | EP | disclosed |