⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4262521 | 0.77 | — | — | |
| SCHEMBL1035052 | 0.77 | — | — | |
| SCHEMBL11030392 | 0.73 | — | — | |
| SCHEMBL1908341 | 0.68 | USP2 (0.38) | — | |
| SCHEMBL1712677 | 0.64 | — | — | |
| SCHEMBL3396303 | 0.62 | — | — | |
| SCHEMBL5329145 | 0.55 | — | — | |
| Benzene SCHEMBL27769865 | 0.49 | CA1 (0.62) | — | |
| Bicarbonate SCHEMBL29837001 | 0.49 | — | — | |
| Bicarbonate SCHEMBL8521386 | 0.49 | CA1 (0.62) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8115012-B2 | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2012-02-14 | — | — | US | claimed |
| US-20100069646-A1 | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2010-03-18 | — | — | US | claimed |
| EP-2086944-B1 | PROCESS FOR PREPARING DIFLUOROMETHYLPYRAZOLYL CARBOXYLATES | BASF SE (DE) | 2010-01-13 | — | — | EP | claimed |
| CN-101535274-B | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE | 2012-09-05 | — | — | CN | disclosed |
| US-8115012-B2 | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2012-02-14 | — | — | US | disclosed |
| US-8115012-B2 | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2012-02-14 | — | — | US | disclosed |
| US-20100069646-A1 | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |
| US-20100069646-A1 | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |
| EP-2086944-B1 | PROCESS FOR PREPARING DIFLUOROMETHYLPYRAZOLYL CARBOXYLATES | BASF SE (DE) | 2010-01-13 | — | — | EP | disclosed |
| CN-101535274-A | Process for preparing difluoromethylpyrazolyl carboxylates | BASF SE (DE) | 2009-09-16 | — | — | CN | disclosed |
| EP-2086944-A1 | PROCESS FOR PREPARING DIFLUOROMETHYLPYRAZOLYL CARBOXYLATES | BASF SE (DE) | 2009-08-12 | — | — | EP | disclosed |
| WO-2008053043-A1 | PROCESS FOR PREPARING DIFLUOROMETHYLPYRAZOLYL CARBOXYLATES | BASF SE (DE) | 2008-05-08 | — | — | WO | disclosed |