SCHEMBL4996573

SCHEMBL4996573

CCCCCCc1ccc2cc([S+]3CCCC3)ccc2c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.35
FUT7 Q11130 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CTSD P07339 1/20 0.33
CTSE P14091 1/20 0.33
FAAH O00519 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4996810 1.00 KCNH2 (0.35) KCNH2FUT7S1PR1S1PR3CTSD
SCHEMBL4993905 1.00 KCNH2 (0.35) KCNH2FUT7S1PR1S1PR3CTSD
SCHEMBL4993355 0.99 KCNH2 (0.33) KCNH2FUT7S1PR1S1PR3CTSD
SCHEMBL4996335 0.96 CA2 (0.32) CA2
SCHEMBL4994452 0.87 THRB (0.33) KCNH2
SCHEMBL4994481 0.87 THRB (0.33) KCNH2
SCHEMBL4994018 0.87 THRB (0.33) KCNH2
SCHEMBL4993965 0.86 THRB (0.32)
SCHEMBL5002067 0.85 THRA (0.35) CA2
SCHEMBL4993279 0.85 THRA (0.35) CA2

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