⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3804117 | 1.00 | — | — | |
| Tembotrione SCHEMBL3763078 | 0.90 | — | — | |
| Ethoxysulfuron SCHEMBL169998 | 0.78 | — | — | |
| Ethoxysulfuron SCHEMBL170413 | 0.78 | — | — | |
| SCHEMBL29792113 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL29530747 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL3630904 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL3217731 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL120855 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL7763619 | 0.74 | CTSD (0.38) | — |
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-8728977-B2 | Herbicidal combinations comprising tefuryltrione for use in rice crops | BAYER CROPSCIENCE AG (DE) | 2014-05-20 | — | — | US | disclosed |
| US-20100304973-A1 | HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS | BAYER CROPSCIENCE AG (DE) | 2010-12-02 | — | — | US | disclosed |
| WO-2010136165-A2 | HERBICIDE COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CULTURES | BAYER CROPSCIENCE AG (DE) | 2010-12-02 | — | — | WO | disclosed |