⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127294 | 0.96 | — | — | |
| SCHEMBL27571033 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27554092 | 0.92 | — | — | |
| Methane SCHEMBL2195647 | 0.92 | — | — | |
| Ethylamine SCHEMBL868902 | 0.79 | — | — | |
| Sulfuric Acid SCHEMBL15809904 | 0.73 | — | — | |
| SCHEMBL15385095 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL28073997 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL4935184 | 0.67 | — | — | |
| SCHEMBL851841 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1075497-C | Pyrazol-4-yl heteroaroyl derivatives as herbicides | BASF AG (DE) | 2001-11-28 | — | — | CN | disclosed |
| CN-1317240-A | Pyrazol-4-yl heteroaroyl derivatives as herbicides | BASF AG (DE) | 2001-10-17 | — | — | CN | disclosed |
| CN-1211249-A | Pyrazol-4-yl heteroaroyl derivatives as herbicides | BASF AG (DE) | 1999-03-17 | — | — | CN | disclosed |