SCHEMBL10179907

SCHEMBL10179907

C=CCS(=O)(=O)Oc1ccc(CCCCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.55
THRA P10827 7/20 0.47
CA2 P00918 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
STS P08842 4/20 0.44
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
FUT7 Q11130 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10180217 0.85 CA2 (0.57) THRBTHRACA2MEN1KMT2A
SCHEMBL10181464 0.84 CA2 (0.54) THRBTHRACA2MEN1KMT2A
SCHEMBL10179927 0.83 PPARA (0.49) THRBCA2CA1CA9FUT7
SCHEMBL16395244 0.82 THRB (0.48) THRBTHRACA2MEN1KMT2A
SCHEMBL10180347 0.82 THRB (0.57) THRBTHRACA2MEN1KMT2A
SCHEMBL10180116 0.81 CA2 (0.51) THRBTHRACA2STSCA1
SCHEMBL6231372 0.80 CA2 (0.50) THRBTHRACA2STSCA1
SCHEMBL9647425 0.80 CA2 (0.50) THRBTHRACA2MEN1KMT2A
SCHEMBL10180303 0.80 THRB (0.44) THRBTHRACA2MEN1KMT2A
SCHEMBL5265636 0.79 CA2 (0.56) THRBTHRACA2MEN1KMT2A

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