SCHEMBL16469554

SCHEMBL16469554

[Li]C(C)(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.46
ALDH1A1 P00352 3/20 0.45
PSIP1 O75475 1/20 0.44
HSD11B1 P28845 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL780280 0.85 ALDH1A1 (0.60) HTR6ALDH1A1PSIP1HSD11B1CA1
Fluoride SCHEMBL775526 0.83 ALDH1A1 (0.58) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL6544675 0.80 HTR6 (0.50) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL384939 0.80 HTR6 (0.50) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL19033894 0.78 HTR6 (0.48) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL9412343 0.77 HTR6 (0.42) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL7321456 0.76 HTR6 (0.46) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL5961978 0.76 HTR6 (0.46) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL28442855 0.76 CA1 (0.48) HTR6ALDH1A1PSIP1HSD11B1CA1
SCHEMBL10652867 0.76 TSHR (0.48) HTR6ALDH1A1PSIP1HSD11B1CA1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150050561-A1 HIGH VOLTAGE LITHIUM ION BATTERIES HAVING FLUORINATED ELECTROLYTES AND LITHIUM-BASED ADDITIVES UCHICAGO ARGONNE, LLC (US) 2015-02-19 US claimed
US-20150050561-A1 HIGH VOLTAGE LITHIUM ION BATTERIES HAVING FLUORINATED ELECTROLYTES AND LITHIUM-BASED ADDITIVES UCHICAGO ARGONNE, LLC (US) 2015-02-19 US disclosed