SCHEMBL7708622

SCHEMBL7708622

O=S(=O)([O-])C(F)(F)C(F)C(F)(F)F.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ENPP2 Q13822 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7708812 0.86 ALDH1A1 (0.34) CA12CA1CA2CA9KCNH2
SCHEMBL7702833 0.84 AGER (0.36) LMNACA12CA1CA2CA9
SCHEMBL7708207 0.84 GPR3 (0.34) LMNACA1CA2CA9
SCHEMBL7708183 0.82 ALDH1A1 (0.38) LMNACA1CA2CA9
Trifluoromethanesulfonic Acid SCHEMBL2350092 0.81 KCNH2 (0.42) ESR1ESR2LMNACA12CA1
SCHEMBL7702718 0.80 GPR3 (0.35) LMNACA12CA1CA2CA9
SCHEMBL7708749 0.80 GPR3 (0.35) LMNACA12CA1CA2CA9
SCHEMBL7711392 0.77 MMP13 (0.33)
SCHEMBL7702806 0.77 HSD11B1 (0.38) CA1CA2
SCHEMBL7708838 0.77 CYTH2 (0.35) LMNA

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