⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31696496 | 0.77 | — | — | |
| SCHEMBL22549499 | 0.67 | FFAR1 (0.31) | — | |
| SCHEMBL536550 | 0.62 | — | — | |
| SCHEMBL27004776 | 0.62 | CCR1 (0.38) | — | |
| SCHEMBL13299029 | 0.62 | — | — | |
| SCHEMBL16479470 | 0.62 | — | — | |
| SCHEMBL12310203 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL21248564 | 0.60 | — | — | |
| SCHEMBL8083690 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL21248560 | 0.60 | MEN1 (0.31) | — |
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 |