SCHEMBL776683

SCHEMBL776683

O=S(=O)(O)c1ccc(CCCC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CA2 P00918 8/20 0.43
MGLL Q99685 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
NT5E P21589 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
CA1 P00915 3/20 0.38
F2 P00734 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL20164792 0.95 CA2 (0.45) LMNACA2MGLLSMN1; SMN2ESR1
SCHEMBL778771 0.89 LMNA (0.43) LMNACA2SMN1; SMN2ESR1ESR2
SCHEMBL30446884 0.82 CA2 (0.57) LMNACA2MGLLSMN1; SMN2TSHR
SCHEMBL2484124 0.81 CA2 (0.44) LMNACA2MGLLSMN1; SMN2TSHR
SCHEMBL20560555 0.81 CA2 (0.43) LMNACA2SMN1; SMN2CA1
SCHEMBL775809 0.79 CA2 (0.47) LMNACA2MGLLSMN1; SMN2TSHR
SCHEMBL24214113 0.79 CA2 (0.45) LMNACA2SMN1; SMN2TSHRALDH1A1
SCHEMBL775755 0.79 LMNA (0.41) LMNACA2SMN1; SMN2TSHRALDH1A1
SCHEMBL5908653 0.78 KIF11 (0.45) CA2SMN1; SMN2
SCHEMBL11583429 0.78 LMNA (0.56) LMNACA2SMN1; SMN2ESR1ESR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed