⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28222418 | 0.74 | NOTUM (0.33) | — | |
| SCHEMBL377290 | 0.74 | — | — | |
| SCHEMBL1460915 | 0.72 | — | — | |
| SCHEMBL1461147 | 0.72 | — | — | |
| SCHEMBL1406338 | 0.72 | NPC1 (0.31) | — | |
| SCHEMBL3402184 | 0.72 | — | — | |
| SCHEMBL2428819 | 0.71 | PTGDR2 (0.33) | — | |
| SCHEMBL18286040 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3396716 | 0.69 | — | — | |
| SCHEMBL16105746 | 0.68 | GAA (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |