⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9481507 | 0.55 | — | — | |
| SCHEMBL359090 | 0.55 | — | — | |
| SCHEMBL4864400 | 0.55 | — | — | |
| SCHEMBL135302 | 0.55 | — | — | |
| SCHEMBL3316032 | 0.52 | — | — | |
| SCHEMBL561897 | 0.41 | — | — | |
| SCHEMBL29378423 | 0.30 | — | — | |
| SCHEMBL7873650 | 0.30 | — | — | |
| SCHEMBL29889134 | 0.30 | — | — | |
| SCHEMBL7590436 | 0.30 | — | — |
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-0011473-A1 | Substituted 2-imino-1,3-dithio and 1,3-oxathio heterocyclic compounds as herbicidal antidotes | MONSANTO COMPANY (US) | 1980-05-28 | — | — | EP | disclosed |