⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5329366 | 0.63 | — | — | |
| SCHEMBL3459547 | 0.59 | — | — | |
| SCHEMBL16768942 | 0.56 | — | — | |
| SCHEMBL9239337 | 0.50 | — | — | |
| SCHEMBL14892533 | 0.49 | — | — | |
| SCHEMBL19989831 | 0.49 | — | — | |
| SCHEMBL8310549 | 0.49 | — | — | |
| SCHEMBL20603736 | 0.47 | — | — | |
| SCHEMBL1032480 | 0.46 | ALDH1A1 (0.31) | — | |
| SCHEMBL21275016 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2864320-B1 | PESTICIDAL PYRAZOLE COMPOUNDS | BASF SE (DE) | 2017-11-15 | — | — | EP | claimed |
| US-9474277-B2 | Pyrazole compound and pesticidal mixtures comprising a pyrazole compound | BASF SE (DE) | 2016-10-25 | — | — | US | claimed |
| US-20150150257-A1 | PYRAZOLE COMPOUND AND PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND | BASF SE (DE) | 2015-06-04 | — | — | US | claimed |