SCHEMBL4997145

SCHEMBL4997145

O=S(=O)(OS1(c2ccc3cc(C4CCCC4)ccc3c2)CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ABL1 P00519 2/20 0.31
BACE1 P56817 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 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
SCHEMBL4995783 0.99 BACE1 (0.32) CA1CA2ABL1BACE1
SCHEMBL4997241 0.84 CA1 (0.34) CA1CA2
SCHEMBL4991069 0.84 ABL1 (0.33) CA1CA2ABL1
SCHEMBL4999367 0.84 SLC6A4 (0.32)
SCHEMBL4996681 0.83 SLC6A4 (0.36)
SCHEMBL4996370 0.83 CA1 (0.32) CA1CA2
SCHEMBL4990177 0.83 ABL1 (0.34) CA1CA2ABL1
SCHEMBL5002116 0.83 AR (0.32) CA1CA2
SCHEMBL4992954 0.83 CA1 (0.35) CA1CA2
SCHEMBL5002235 0.82 MAOA (0.33)

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