SCHEMBL546640

SCHEMBL546640

CC(C)(C)c1ccccc1[S+](c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C.O=C(OCCCCCCBr)C(F)(F)S(=O)(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
STS P08842 6/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HSD11B1 P28845 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
LMNA P02545 1/20 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
SCHEMBL546395 0.90 TDP1 (0.34) TDP1STSCHRM2CHRM4CHRM1
SCHEMBL546509 0.89 HDAC1 (0.33) TDP1STSHSD11B1HDAC1HDAC2
SCHEMBL547245 0.85 HSP90AB1 (0.30)
SCHEMBL546313 0.84 TDP1 (0.34) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL546713 0.84 TDP1 (0.34) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL546301 0.84 TDP1 (0.39) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL546826 0.84 TDP1 (0.39) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL546870 0.84 TDP1 (0.39) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL547443 0.84 TDP1 (0.39) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2183095 0.84 TDP1 (0.39) TDP1CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524440-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-8110336-B2 Resin and chemically amplified resist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-07 US disclosed
US-20110165513-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY LTD (JP) 2011-07-07 US disclosed
US-20100075257-A1 Resin and Chemically Amplified Resist Composition Comprising the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 US disclosed