⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1169856 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL9544259 | 0.77 | — | — | |
| SCHEMBL3481722 | 0.75 | — | — | |
| SCHEMBL11567236 | 0.75 | — | — | |
| SCHEMBL15490963 | 0.75 | — | — | |
| SCHEMBL6429025 | 0.74 | — | — | |
| SCHEMBL23701120 | 0.73 | — | — | |
| SCHEMBL3332160 | 0.73 | — | — | |
| SCHEMBL14752763 | 0.73 | MEN1 (0.37) | — | |
| SCHEMBL6718229 | 0.71 | — | — |
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 1 patent. 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 | disclosed |