⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18699302 | 0.80 | — | — | |
| SCHEMBL24629606 | 0.72 | — | — | |
| SCHEMBL24737037 | 0.72 | — | — | |
| SCHEMBL18760849 | 0.69 | — | — | |
| SCHEMBL1412538 | 0.69 | — | — | |
| SCHEMBL333228 | 0.69 | — | — | |
| SCHEMBL12684450 | 0.69 | — | — | |
| SCHEMBL22803612 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL19631493 | 0.67 | — | — | |
| SCHEMBL13337125 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3398938-B1 | PYRAZOLE COMPOUNDS OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USE THEREOF | QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO LTD (CN) | 2020-09-02 | — | — | EP | disclosed |