⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8358746 | 0.68 | — | — | |
| SCHEMBL11355212 | 0.67 | — | — | |
| SCHEMBL8429251 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL8429253 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL167473 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL15310434 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL8852486 | 0.63 | — | — | |
| SCHEMBL11344211 | 0.63 | — | — | |
| SCHEMBL22169782 | 0.63 | CHRNB2 (0.41) | — | |
| SCHEMBL9506299 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0298680-B1 | HERBICIDAL COMPOSITIONS OF ACYLATED 1,3-DICARBONYL HERBICIDES AND ANTIDOTES THEREFOR | ZENECA INC. (US) | 1993-09-15 | — | — | EP | disclosed |
| EP-0298680-A2 | Herbicidal compositions of acylated 1,3-dicarbonyl herbicides and antidotes therefor | ZENECA INC. (US) | 1989-01-11 | — | — | EP | disclosed |