⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1302789 | 0.73 | — | — | |
| SCHEMBL7670738 | 0.70 | — | — | |
| SCHEMBL9261981 | 0.67 | — | — | |
| SCHEMBL3212824 | 0.67 | — | — | |
| SCHEMBL7666625 | 0.67 | — | — | |
| SCHEMBL7475566 | 0.66 | — | — | |
| SCHEMBL8405846 | 0.62 | — | — | |
| SCHEMBL3209597 | 0.61 | — | — | |
| SCHEMBL2099981 | 0.61 | — | — | |
| SCHEMBL1859315 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923562-B1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AG (DE) | 2002-10-09 | — | — | EP | disclosed |
| US-6130225-A | Substituted p-trifluoromethylphenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| EP-0923562-A1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AG (DE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998006706-A1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-19 | — | — | WO | disclosed |