SCHEMBL4991069

SCHEMBL4991069

O=S(=O)(OS1(c2ccc3cc(OC4CCCC4)ccc3c2)CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MTNR1A P48039 1/20 0.32
PDK2 Q15119 3/20 0.32
PTGS1 P23219 6/20 0.32
MAOB P27338 2/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL4990177 0.99 ABL1 (0.34) ABL1CA1CA2MTNR1APDK2
SCHEMBL4997137 0.85 PARP10 (0.38) CA1CA2PDK2PTGS1MAOB
SCHEMBL5002059 0.85 KMT2A (0.38) CA1CA2PTGS2
SCHEMBL4999100 0.84
SCHEMBL4997145 0.84 CA1 (0.31) ABL1CA1CA2
SCHEMBL5002072 0.84 PARP10 (0.39) PDK2PTGS1MAOBPTGS2
SCHEMBL4986620 0.84 SCN9A (0.30)
SCHEMBL4997241 0.83 CA1 (0.34) CA1CA2
SCHEMBL4995783 0.83 BACE1 (0.32) ABL1CA1CA2
SCHEMBL4996370 0.82 CA1 (0.32) 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