⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16768938 | 0.87 | — | — | |
| SCHEMBL657969 | 0.83 | — | — | |
| SCHEMBL13929118 | 0.83 | — | — | |
| SCHEMBL7350059 | 0.79 | — | — | |
| SCHEMBL5945222 | 0.76 | — | — | |
| SCHEMBL16878198 | 0.73 | — | — | |
| SCHEMBL16878782 | 0.73 | — | — | |
| SCHEMBL5599093 | 0.73 | — | — | |
| SCHEMBL18807654 | 0.72 | — | — | |
| SCHEMBL16878866 | 0.71 | TTR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170035050-A1 | Pesticidal mixtures comprising a pyrazole compound | BASF SE (DE) | 2017-02-09 | — | — | US | disclosed |
| US-9474277-B2 | Pyrazole compound and pesticidal mixtures comprising a pyrazole compound | BASF SE (DE) | 2016-10-25 | — | — | US | disclosed |
| US-20150150257-A1 | PYRAZOLE COMPOUND AND PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND | BASF SE (DE) | 2015-06-04 | — | — | US | disclosed |