SCHEMBL4338776

SCHEMBL4338776

O=C1OCC(CCS(=O)(=O)Oc2ccc(Cl)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 2/20 0.41
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.33
CA12 O43570 1/20 0.33
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP14 P50281 2/20 0.32
MMP7 P09237 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL4340968 0.86 CA2 (0.46) CA2CA1CA9TDP1PPARG
SCHEMBL558096 0.86 ALDH1A1 (0.41) CA2CA1CA9TDP1PPARG
SCHEMBL557248 0.74 CA2 (0.30) CA2
SCHEMBL25964074 0.73 PRMT5 (0.31) CA2
SCHEMBL558095 0.72 CA2 (0.43) CA2CA1CA9TDP1PPARG
SCHEMBL13666943 0.72
SCHEMBL558104 0.71 CA2 (0.43) CA2CA1CA9ALDH1A1CYP3A4
SCHEMBL557238 0.71
SCHEMBL13666946 0.70 CA2 (0.33) CA2
SCHEMBL558030 0.70 CA1 (0.36) CA2CA1

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-20220069353-A1 Electrolyte Solution For Lithium Secondary Battery And Lithium Secondary Battery Including The Same LG ENERGY SOLUTION, LTD. (KR) 2022-03-03 US claimed
US-20090280414-A1 Additive for non-aqueous electrolyte and secondary battery using the same LG CHEM, LTD. (KR) 2009-11-12 US claimed
US-20220069353-A1 Electrolyte Solution For Lithium Secondary Battery And Lithium Secondary Battery Including The Same LG ENERGY SOLUTION, LTD. (KR) 2022-03-03 US disclosed
US-8349502-B2 Additive for non-aqueous electrolyte and secondary battery using the same LG CHEM, LTD. (KR) 2013-01-08 US disclosed
US-20090280414-A1 Additive for non-aqueous electrolyte and secondary battery using the same LG CHEM, LTD. (KR) 2009-11-12 US disclosed