SCHEMBL4996571

SCHEMBL4996571

CS(=O)(=O)c1ccc2cc([S+]3CCCC3)ccc2c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
PTGS1 P23219 3/20 0.31
PTGS2 P35354 2/20 0.31
PNMT P11086 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
SCHEMBL4994083 0.89 CNR2 (0.31) CA1CA2
SCHEMBL5002022 0.87 GPR3 (0.31)
SCHEMBL4997238 0.87 MCOLN3 (0.35) CA1CA2
SCHEMBL5002041 0.86 TSHR (0.32)
SCHEMBL4992952 0.86 MCOLN3 (0.35) CA1CA2
SCHEMBL5002053 0.85 MEN1 (0.41) CA2PTGS2
SCHEMBL4996366 0.84
SCHEMBL5002199 0.84
SCHEMBL4993965 0.83 THRB (0.32) PNMT
SCHEMBL4994481 0.82 THRB (0.33) PNMT

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-7371503-B2 Sulfonium salt compound, photoacid generator, and positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-05-13 US disclosed
US-20060141383-A1 Sulfonium salts, radiation- sensitive acid generators, and positive radiator-sensitive resin compositions JSR CORPORATION (JP) 2006-06-29 US disclosed
EP-1586570-A1 SULFONIUM SALTS, RADIATION-SENSITIVE ACID GENERATORS, AND POSITIVE RADIATION-SENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2005-10-19 EP disclosed