SCHEMBL7536071

SCHEMBL7536071

CCCC(=O)C[S+](C)C(C)(C)C.FC(F)F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.31
CES1 P23141 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL6730722 0.92 CES2 (0.36) CES2CES1FFAR3HDAC3HDAC1
Trifluoromethanesulfonic Acid SCHEMBL6550962 0.81 CES2 (0.30) CES2CES1
SCHEMBL6725787 0.78 KMT2A (0.45) CES2CES1
SCHEMBL6723095 0.77 KMT2A (0.48) CES2CES1
SCHEMBL6550895 0.75 EPHX2 (0.33) CES2CES1
SCHEMBL6731112 0.74 TDP1 (0.43) FFAR3
SCHEMBL6550632 0.74 CA1 (0.33)
SCHEMBL6550690 0.73 CA1 (0.34)
Trifluoromethanesulfonic Acid SCHEMBL6549345 0.72 CES1 (0.34) CES2CES1
SCHEMBL6551415 0.71 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 US disclosed