⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2088730 | 0.74 | — | — | |
| SCHEMBL5366447 | 0.74 | — | — | |
| SCHEMBL11440324 | 0.74 | — | — | |
| SCHEMBL11577405 | 0.74 | — | — | |
| SCHEMBL17494119 | 0.74 | — | — | |
| SCHEMBL924323 | 0.74 | — | — | |
| Butadiene SCHEMBL2765168 | 0.71 | — | — | |
| SCHEMBL28778425 | 0.70 | — | — | |
| SCHEMBL7063305 | 0.70 | — | — | |
| SCHEMBL15069388 | 0.69 | HTT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2882717-A1 | METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES | Bayer CropScience AG (DE) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023667-A1 | METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES | BAYER CROPSCIENCE AG (DE) | 2014-02-13 | — | — | WO | disclosed |