SCHEMBL1593301

SCHEMBL1593301

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.36
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
CA5A P35218 2/20 0.36
CA9 Q16790 2/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 7/20 0.34
FFAR1 O14842 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 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
SCHEMBL271338 0.95 TLR9 (0.35) TLR9CA2CA1CA5ACA9
SCHEMBL1593707 0.94 GPR3 (0.36) TLR9CA2CA1CA5ACA9
SCHEMBL562807 0.94 CA2 (0.36) TLR9CA2CA1CA5ACA9
Trifluoromethanesulfonic Acid SCHEMBL7038099 0.92 GPR3 (0.37) TLR9CA2CA1CA5ACA9
SCHEMBL3129912 0.90 GPR3 (0.35) TLR9CA2CA1CA5ACA9
SCHEMBL219925 0.90 GPR3 (0.35) TLR9CA2CA1CA5ACA9
Trifluoromethanesulfonic Acid SCHEMBL7038095 0.88 CA2 (0.33) TLR9CA2CA1CA5ACA9
SCHEMBL1089841 0.88 CA1 (0.35) CA2CA1CA5ACA9GAA
SCHEMBL3132822 0.88 CA1 (0.35) CA2CA1CA5ACA9GAA
SCHEMBL546898 0.88 CA1 (0.35) CA2CA1CA5ACA9GAA

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-20110091818-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 US disclosed
US-20100279226-A1 RESIST PROCESSING METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20100273112-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-28 US disclosed