⚠ 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 | |
|---|---|---|---|---|
| Glyphosate SCHEMBL7587502 | 0.95 | — | — | |
| SCHEMBL7587704 | 0.93 | SMN1; SMN2 (0.32) | — | |
| Glufosinate SCHEMBL7587829 | 0.89 | — | — | |
| Oxyfluorfen SCHEMBL7585093 | 0.83 | MEN1 (0.37) | — | |
| Fomesafen SCHEMBL7586136 | 0.82 | TDP1 (0.40) | — | |
| Aclonifen SCHEMBL7581867 | 0.81 | MEN1 (0.38) | — | |
| Acifluorfen SCHEMBL7580007 | 0.80 | TDP1 (0.44) | — | |
| Lactofen SCHEMBL7581359 | 0.79 | TDP1 (0.38) | — | |
| Oxyfluorfen SCHEMBL7585833 | 0.79 | MEN1 (0.35) | — | |
| Bifenox SCHEMBL7587112 | 0.79 | TDP1 (0.47) | — |
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-20020004457-A1 | Herbicidal composition | SYNGENTA PARTICIPATIONS AG (CH) | 2002-01-10 | — | — | US | disclosed |