⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7581180 | 0.94 | KDM4E (0.32) | — | |
| Chlorsulfuron SCHEMBL7579251 | 0.92 | ALDH1A1 (0.36) | — | |
| Iodosulfuron SCHEMBL7580869 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL7578518 | 0.90 | — | — | |
| Logran SCHEMBL7583827 | 0.89 | KDM4E (0.31) | — | |
| Prosulfuron SCHEMBL7588904 | 0.88 | PTGER4 (0.31) | — | |
| SCHEMBL7583796 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL7574649 | 0.85 | — | — | |
| SCHEMBL7578647 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL7591074 | 0.84 | PKM (0.32) | — |
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 |