⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8796098 | 0.70 | CA1 (0.35) | — | |
| SCHEMBL4614937 | 0.70 | — | — | |
| SCHEMBL7911258 | 0.68 | PKM (0.36) | — | |
| SCHEMBL7901217 | 0.66 | CA1 (0.38) | — | |
| SCHEMBL3942324 | 0.65 | — | — | |
| SCHEMBL7909205 | 0.65 | — | — | |
| SCHEMBL8632281 | 0.65 | GAA (0.33) | — | |
| SCHEMBL3257454 | 0.64 | — | — | |
| SCHEMBL3987292 | 0.64 | — | — | |
| SCHEMBL3782693 | 0.63 | CA12 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009018885-A1 | DIOXAZINYL-SUBSTITUTED FURYL-SULFONYL-AMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | WO | disclosed |
| WO-2009018885-A1 | DIOXAZINYL-SUBSTITUTED FURYL-SULFONYL-AMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2009-02-12 | — | — | WO | disclosed |
| EP-2022791-A1 | Herbicide dioxazinyl-substituted furylsulfonylaminocarbonyl compounds | Bayer CropScience AG (DE) | 2009-02-11 | — | — | EP | disclosed |