SCHEMBL4995336

SCHEMBL4995336

Fc1ccc([S+]2CCCC2)c2ccccc12.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
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 2/20 0.30
CA2 P00918 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
SCHEMBL516312 0.87 CA1 (0.34) CA1CA2
SCHEMBL515864 0.86 CA1 (0.35) CA1CA2
SCHEMBL702251 0.84 ALDH1A1 (0.33) ALDH1A1TSHRHTT
SCHEMBL704509 0.83 ALDH1A1 (0.33) ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL4307394 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5365271 0.82
SCHEMBL5353994 0.81 CYP1A2 (0.32)
SCHEMBL701702 0.81 TSHR (0.42) ALDH1A1TSHRGAAHTTNPSR1
SCHEMBL3159376 0.81 HTT (0.33) ALDH1A1TSHRHTT
SCHEMBL5366389 0.81 CA1 (0.30) CA1CA2

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