⚠ 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 SCHEMBL3764538 | 0.89 | GAA (0.32) | — | |
| SCHEMBL3767421 | 0.80 | — | — | |
| SCHEMBL3802379 | 0.79 | ROS1 (0.34) | — | |
| Foramsulfuron SCHEMBL3807081 | 0.79 | CDK1 (0.56) | — | |
| SCHEMBL3803192 | 0.78 | CDK1 (0.36) | — | |
| SCHEMBL118936 | 0.76 | OXTR (0.36) | — | |
| SCHEMBL3802963 | 0.76 | — | — | |
| SCHEMBL3343785 | 0.75 | GAA (0.49) | — | |
| SCHEMBL12770865 | 0.74 | OXTR (0.34) | — | |
| SCHEMBL3803288 | 0.72 | PTK2 (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 2 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 |