⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3396716 | 0.86 | — | — | |
| SCHEMBL27787851 | 0.85 | SLC22A6 (0.38) | — | |
| SCHEMBL3400003 | 0.83 | — | — | |
| SCHEMBL1012033 | 0.81 | — | — | |
| SCHEMBL28188588 | 0.81 | ACHE (0.39) | — | |
| SCHEMBL601435 | 0.73 | NOTUM (0.33) | — | |
| SCHEMBL377290 | 0.72 | — | — | |
| SCHEMBL4022894 | 0.72 | — | — | |
| SCHEMBL1461147 | 0.71 | — | — | |
| SCHEMBL1460915 | 0.71 | — | — |
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-2057126-B1 | PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-11-10 | — | — | EP | disclosed |
| EP-2057126-A2 | PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | Bayer CropScience AG (DE) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008022777-A2 | PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2008-02-28 | — | — | WO | disclosed |