SCHEMBL1634141

SCHEMBL1634141

C=C(C)C(=O)OCCOC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
ELANE P08246 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL1633899 0.94 TDP1 (0.44) HTTPOLBAPEX1TDP1THRB
SCHEMBL31206274 0.87 HTT (0.34) HTTPOLBAPEX1TDP1THRB
SCHEMBL17628269 0.84 TDP1 (0.39) HTTPOLBAPEX1TDP1THRB
SCHEMBL1634221 0.84 KMT2A (0.34) HTTTDP1TSHRKMT2AMEN1
SCHEMBL547386 0.83 KMT2A (0.34) HTTPOLBTDP1TSHRKMT2A
SCHEMBL246595 0.82 HTT (0.35) HTTPOLBAPEX1TDP1THRB
SCHEMBL246810 0.81 HTT (0.33) HTTPOLBAPEX1TDP1TSHR
SCHEMBL2522568 0.81 THRB (0.37) HTTPOLBAPEX1TDP1THRB
SCHEMBL547133 0.81 KMT2A (0.32) HTTTSHRKMT2AMEN1CA1
SCHEMBL547285 0.81 TDP1 (0.35) HTTTDP1TSHRKMT2AMEN1

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-20110165519-A1 RESIN SUITABLE FOR AN ACID GENERATOR AND A CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION CONTAINING THE SAME ANDO NOBUO 2011-07-07 US disclosed
US-7932334-B2 Resin suitable for an acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-26 US disclosed