⚠ 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 | |
|---|---|---|---|---|
| Bromacil SCHEMBL16899690 | 0.83 | GRIA1 (0.32) | — | |
| SCHEMBL9525667 | 0.83 | ALDH1A1 (0.33) | — | |
| Bromacil SCHEMBL28373932 | 0.82 | GRIA1 (0.31) | — | |
| Bromacil SCHEMBL28030572 | 0.82 | GRIA1 (0.31) | — | |
| Bromacil SCHEMBL28645226 | 0.82 | GRIA1 (0.31) | — | |
| Bromacil SCHEMBL29827179 | 0.82 | GRIA1 (0.31) | — | |
| Bromacil SCHEMBL28449642 | 0.82 | GRIA1 (0.31) | — | |
| Bromacil SCHEMBL28338910 | 0.82 | ATM (0.31) | — | |
| Bromacil SCHEMBL27480124 | 0.72 | CRBN (0.41) | — | |
| Bromacil SCHEMBL7151260 | 0.71 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5688745-A | Arylsulfonylureas and their use as herbicides and growth regulators | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-11-18 | — | — | US | disclosed |