SCHEMBL1635918

SCHEMBL1635918

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 2/20 0.40
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MAPK1 P28482 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL547269 0.86 TDP1 (0.37) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL1634200 0.86 TDP1 (0.37) TSHRTDP1KMT2AMEN1HTT
SCHEMBL546301 0.85 TDP1 (0.39) TSHRTDP1KMT2AMEN1HTT
SCHEMBL546826 0.85 TDP1 (0.39) TSHRTDP1KMT2AMEN1HTT
SCHEMBL547318 0.85 TDP1 (0.36) TSHRTDP1KMT2AMEN1HTT
SCHEMBL2183095 0.85 TDP1 (0.39) TSHRTDP1KMT2AMEN1HTT
SCHEMBL546870 0.85 TDP1 (0.39) TSHRTDP1KMT2AMEN1HTT
SCHEMBL547443 0.85 TDP1 (0.39) TSHRTDP1KMT2AMEN1HTT
SCHEMBL547113 0.85 TDP1 (0.36) TSHRALDH1A1TDP1KMT2AMEN1
SCHEMBL546330 0.85 TDP1 (0.39) TSHRTDP1KMT2AMEN1HTT

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