SCHEMBL7708710

SCHEMBL7708710

O=S(=O)(OI)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.43
CA2 P00918 8/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
F2 P00734 3/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
CA9 Q16790 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
SCHEMBL4388318 0.74 CA1 (0.46) CA1CA2CA12CA7CA13
SCHEMBL20345327 0.73 CA1 (0.50) CA1CA2CA12CA7CA13
SCHEMBL2267504 0.72 CA1 (0.43) CA1CA2CA12CA7CA13
SCHEMBL15353250 0.72 CA1 (0.43) CA1CA2CA12CA7CA13
SCHEMBL6115331 0.70 CA1 (0.48) CA1CA2CA12CA7CA13
SCHEMBL5623709 0.70 CA1 (0.54) CA1CA2CA12CA7CA13
SCHEMBL4127175 0.67 CA1 (0.39) CA1CA2CA12CA7CA13
SCHEMBL21667232 0.67 CA1 (0.50) CA1CA2CA12CA7CA13
SCHEMBL4458418 0.67 CA1 (0.39) CA1CA2CA12CA7CA13
SCHEMBL17429340 0.67 CA1 (0.39) CA1CA2CA12CA7CA13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed