⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7472418 | 0.94 | — | — | |
| SCHEMBL4592859 | 0.92 | ALDH1A1 (0.40) | — | |
| SCHEMBL2137970 | 0.88 | — | — | |
| SCHEMBL688634 | 0.74 | — | — | |
| SCHEMBL5097384 | 0.74 | — | — | |
| SCHEMBL1515288 | 0.69 | — | — | |
| SCHEMBL9200335 | 0.69 | CES2 (0.46) | — | |
| SCHEMBL4150384 | 0.69 | CES2 (0.46) | — | |
| SCHEMBL10443486 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL3983669 | 0.69 | — | — |
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 5 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-6444616-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-03 | — | — | US | 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 |