⚠ 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 | |
|---|---|---|---|---|
| Allylthiourea SCHEMBL11884544 | 0.77 | — | — | |
| Allylthiourea SCHEMBL662350 | 0.77 | — | — | |
| Allylthiourea SCHEMBL4796892 | 0.75 | — | — | |
| SCHEMBL11060352 | 0.69 | CYP1A2 (0.30) | — | |
| Bromide SCHEMBL11057032 | 0.69 | CYP1A2 (0.30) | — | |
| Allylthiourea SCHEMBL11051313 | 0.68 | — | — | |
| SCHEMBL9363631 | 0.67 | — | — | |
| SCHEMBL14577426 | 0.65 | — | — | |
| SCHEMBL11057119 | 0.65 | CYP1A2 (0.46) | — | |
| SCHEMBL1427863 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4475942-A | N-Phosphonomethylglycine derivatives and herbicidal compositions containing them | GESHURI LABORATORIES LTD. (IL) | 1984-10-09 | — | — | US | disclosed |