⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7670168 | 0.87 | — | — | |
| SCHEMBL7677251 | 0.84 | — | — | |
| SCHEMBL23609859 | 0.73 | — | — | |
| SCHEMBL9851 | 0.70 | — | — | |
| SCHEMBL5687816 | 0.70 | — | — | |
| SCHEMBL30418501 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL19946015 | 0.67 | — | — | |
| Hydrogen Sulfide SCHEMBL9333951 | 0.67 | — | — | |
| SCHEMBL1470768 | 0.67 | — | — | |
| SCHEMBL23299022 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |