⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6203890 | 0.79 | GAA (0.52) | — | |
| SCHEMBL3899494 | 0.78 | DGKA (0.45) | — | |
| SCHEMBL4060095 | 0.76 | TSHR (0.67) | — | |
| SCHEMBL27522 | 0.76 | — | — | |
| SCHEMBL29000521 | 0.76 | TSHR (0.67) | — | |
| Dimethyl Succinate SCHEMBL28054469 | 0.74 | TSHR (1.00) | — | |
| Dimethyl Succinate SCHEMBL10213 | 0.74 | TSHR (1.00) | — | |
| Hydrochloric Acid SCHEMBL27575104 | 0.74 | — | — | |
| SCHEMBL3682553 | 0.74 | TSHR (0.63) | — | |
| SCHEMBL6201932 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7521396-B2 | Substituted (thioxo)carbonylaminophenyluracils | BAYER CROPSCIENCE AG (DE) | 2009-04-21 | — | — | US | claimed |
| US-20060089262-A1 | Substituted (thioxo)carbonylamino phenyl uraciles | BAYER CROPSCIENCE AG (DE) | 2006-04-27 | — | — | US | claimed |
| EP-1503994-A1 | SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES | Bayer CropScience AG (DE) | 2005-02-09 | — | — | EP | claimed |
| WO-2003093244-A1 | SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES | BAYER CROPSCIENCE AG (DE) | 2003-11-13 | — | — | WO | claimed |
| US-7521396-B2 | Substituted (thioxo)carbonylaminophenyluracils | BAYER CROPSCIENCE AG (DE) | 2009-04-21 | — | — | US | disclosed |
| US-20060089262-A1 | Substituted (thioxo)carbonylamino phenyl uraciles | BAYER CROPSCIENCE AG (DE) | 2006-04-27 | — | — | US | disclosed |
| EP-1503994-A1 | SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES | Bayer CropScience AG (DE) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003093244-A1 | SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES | BAYER CROPSCIENCE AG (DE) | 2003-11-13 | — | — | WO | disclosed |