⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7501319 | 1.00 | — | — | |
| SCHEMBL3196363 | 0.97 | — | — | |
| SCHEMBL4953730 | 0.86 | — | — | |
| SCHEMBL1535876 | 0.82 | — | — | |
| SCHEMBL11016251 | 0.82 | — | — | |
| SCHEMBL13929991 | 0.82 | — | — | |
| SCHEMBL13446223 | 0.82 | — | — | |
| SCHEMBL8047753 | 0.82 | — | — | |
| SCHEMBL19846101 | 0.82 | — | — | |
| SCHEMBL794942 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773787-A1 | METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO)URACILS AND DITHIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006010474-A1 | METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO)URACILS AND DITHIOURACILS | BASF AKTIENGESELLSCHAFT (DE) | 2006-02-02 | — | — | WO | disclosed |
| US-6165944-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |