⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17729833 | 0.83 | — | — | |
| SCHEMBL3017648 | 0.73 | EPHX1 (0.41) | — | |
| SCHEMBL3018849 | 0.73 | EPHX1 (0.41) | — | |
| SCHEMBL17816102 | 0.73 | EPHX1 (0.41) | — | |
| SCHEMBL17816143 | 0.73 | EPHX1 (0.41) | — | |
| SCHEMBL1030917 | 0.73 | — | — | |
| SCHEMBL2844353 | 0.73 | EPHX1 (0.43) | — | |
| SCHEMBL16734999 | 0.71 | — | — | |
| SCHEMBL2837505 | 0.69 | EPHX1 (0.39) | — | |
| SCHEMBL11740672 | 0.69 | EPHX1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |