⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28058101 | 0.81 | — | — | |
| SCHEMBL10780857 | 0.81 | — | — | |
| SCHEMBL7060256 | 0.81 | USP2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL28751980 | 0.79 | ECE1 (0.45) | — | |
| SCHEMBL31427484 | 0.79 | HSD17B10 (0.46) | — | |
| SCHEMBL501649 | 0.79 | — | — | |
| SCHEMBL16938643 | 0.79 | PRMT1 (0.64) | — | |
| Ammonia Solution, Strong SCHEMBL9862796 | 0.78 | USP2 (0.33) | — | |
| SCHEMBL9717468 | 0.77 | ECE1 (0.81) | — | |
| SCHEMBL10770813 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0218271-A1 | Synergistic herbicidal compositions and method | STAUFFER CHEMICAL COMPANY (US) | 1987-04-15 | — | — | EP | disclosed |