⚠ 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 | |
|---|---|---|---|---|
| Tembotrione SCHEMBL169887 | 1.00 | — | — | |
| Tembotrione SCHEMBL169804 | 0.93 | — | — | |
| Tembotrione SCHEMBL170314 | 0.93 | — | — | |
| Ethoxysulfuron SCHEMBL168162 | 0.92 | — | — | |
| Ethoxysulfuron SCHEMBL169978 | 0.92 | — | — | |
| Ethoxysulfuron SCHEMBL3227646 | 0.86 | TP53 (0.34) | — | |
| Tembotrione SCHEMBL168156 | 0.86 | — | — | |
| Ethoxysulfuron SCHEMBL170413 | 0.85 | — | — | |
| Ethoxysulfuron SCHEMBL169998 | 0.85 | — | — | |
| Tembotrione SCHEMBL170489 | 0.77 | TBXA2R (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8673814-B2 | Synergistic combinations which are compatible with cultivated plants and which comprise herbicides selected from the group consisting of benzoylcyclohexanediones for use in rice crops | BAYER CROPSCIENCE AG (DE) | 2014-03-18 | — | — | US | disclosed |
| US-20120058894-A1 | SYNERGISTIC COMBINATIONS WHICH ARE COMPATIBLE WITH CULTIVATED PLANTS AND WHICH COMPRISE HERBICIDES SELECTED FROM THE GROUP CONSISTING OF BENZOYLCYCLOHEXANEDIONES FOR USE IN RICE CROPS | BAYER CROPSCIENCE AG (DE) | 2012-03-08 | — | — | US | disclosed |
| US-20080318786-A1 | SYNERGISTIC COMBINATIONS WHICH ARE COMPATIBLE WITH CULTIVATED PLANTS AND WHICH COMPRISE HERBICIDES SELECTED FROM THE GROUP CONSISTING OF BENZOYLCYCLOHEXANEDIONES FOR USE IN RICE CROPS | BAYER CROPSCIENCE AG (DE) | 2008-12-25 | — | — | US | disclosed |