⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9541861 | 1.00 | — | — | |
| SCHEMBL14776013 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL3237622 | 0.80 | — | — | |
| SCHEMBL3237619 | 0.80 | — | — | |
| SCHEMBL8053123 | 0.78 | — | — | |
| SCHEMBL8765623 | 0.78 | HCAR2 (0.46) | — | |
| SCHEMBL8260266 | 0.78 | MIF (0.32) | — | |
| SCHEMBL27750338 | 0.78 | — | — | |
| SCHEMBL9570379 | 0.75 | — | — | |
| SCHEMBL8050270 | 0.75 | MMP1 (0.31) | — |
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 |