⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL968347 | 0.88 | — | — | |
| SCHEMBL302319 | 0.85 | — | — | |
| SCHEMBL3458615 | 0.85 | ALDH1A1 (0.61) | — | |
| SCHEMBL3458434 | 0.85 | — | — | |
| SCHEMBL1965092 | 0.84 | CYP1A2 (0.62) | — | |
| SCHEMBL10401946 | 0.84 | CYP1A2 (0.62) | — | |
| SCHEMBL1832720 | 0.77 | — | — | |
| SCHEMBL919072 | 0.77 | — | — | |
| SCHEMBL55420 | 0.77 | — | — | |
| SCHEMBL3629024 | 0.73 | DPP4 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993011669-A1 | USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS | BASF AKTIENGESELLSCHAFT (DE) | 1993-06-24 | — | — | WO | claimed |
| CN-117693500-A | Carboxamide derivative and agricultural/horticultural plant disease control agent | 组合化学工业株式会社 | 2024-03-12 | — | — | CN | disclosed |
| WO-1993011669-A1 | USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS | BASF AKTIENGESELLSCHAFT (DE) | 1993-06-24 | — | — | WO | disclosed |