⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8378342 | 0.70 | — | — | |
| SCHEMBL4580318 | 0.70 | — | — | |
| SCHEMBL28255903 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL10434420 | 0.70 | — | — | |
| SCHEMBL11030134 | 0.70 | — | — | |
| SCHEMBL2304434 | 0.70 | — | — | |
| SCHEMBL10770516 | 0.70 | — | — | |
| SCHEMBL10447627 | 0.67 | — | — | |
| SCHEMBL11720908 | 0.67 | — | — | |
| SCHEMBL10644422 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0306823-A1 | Dithiocyanates useful as stabilising agents for rubber vulcanisates | MONSANTO EUROPE S.A./N.V. (BE) | 1989-03-15 | — | — | EP | disclosed |