⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11874948 | 0.74 | — | — | |
| SCHEMBL22958413 | 0.70 | — | — | |
| SCHEMBL4604111 | 0.67 | — | — | |
| SCHEMBL2693552 | 0.67 | — | — | |
| SCHEMBL22015694 | 0.67 | — | — | |
| SCHEMBL27462991 | 0.67 | — | — | |
| SCHEMBL7756308 | 0.67 | — | — | |
| SCHEMBL17623458 | 0.63 | — | — | |
| Acetic Acid SCHEMBL427319 | 0.63 | SLC1A3 (0.43) | — | |
| Acetamide SCHEMBL4847105 | 0.63 | SLC1A3 (0.54) | — |
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 |