SCHEMBL10179769

SCHEMBL10179769

CCCCCc1ccc(OS(=O)(=O)C(F)(F)CF)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.49
CA2 P00918 3/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
FAAH O00519 1/20 0.46
THRB P10828 2/20 0.44
THRA P10827 1/20 0.43
FUT7 Q11130 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7930478 0.86 CA2 (0.50) STSCA2CA1CA9FAAH
SCHEMBL10181515 0.85 CA2 (0.61) STSCA2CA1CA9FAAH
SCHEMBL22666338 0.85 CA2 (0.49) STSCA2CA1CA9FAAH
SCHEMBL10181518 0.83 PPARA (0.50) CA2CA1CA9FUT7
SCHEMBL10180213 0.82 HTT (0.44) CA2CA1CA9FAAHTHRB
SCHEMBL2829918 0.81 CA2 (0.49) STSCA2CA1FAAHTHRB
SCHEMBL8552231 0.81 RARB (0.52) STSCA2FAAHTHRBTHRA
SCHEMBL27454463 0.80 CA2 (0.47) STSCA2CA1FAAHTHRB
SCHEMBL10179772 0.79 STS (0.47) STSCA2CA1CA9FAAH
SCHEMBL5265636 0.79 CA2 (0.56) STSCA2CA1CA9THRB

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed