SCHEMBL9505503

SCHEMBL9505503

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.52
CA1 P00915 9/20 0.48
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MMP13 P45452 4/20 0.48
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.43
F2 P00734 4/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 4/20 0.42
PRSS3 P35030 4/20 0.42
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
Perflexane SCHEMBL3192336 1.00 CA2 (0.52) CA2CA1MMP1MMP2MMP9
Perflenapent SCHEMBL14763328 1.00 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL474710 1.00 CA2 (0.52) CA2CA1MMP1MMP2MMP9
Perflubutane SCHEMBL73685 0.96 CA2 (0.48) CA2CA1MMP1MMP2MMP9
Perflutren SCHEMBL1470237 0.88 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL11563004 0.86 TSHR (0.53) CA2CA1MMP1MMP2MMP9
Sulfuric Acid SCHEMBL2819379 0.81 CA2 (0.52) CA2CA1MMP1MMP2MMP9
Perflubutane SCHEMBL6557063 0.81 TSHR (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL2135581 0.81 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL3685588 0.81 CA2 (0.50) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873020-A QUATERNARY AMINE SALTS ASSOCIATED WITH PERFLUOROALKYL SULFONAT ES; SOOD SURFACE TNESION DEPRESSANT PROPERTIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-10-10 US claimed
EP-0363094-B1 FLUOROCHEMICAL SURFACTANTS AND PROCESS FOR PREPARING SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-04 EP disclosed
EP-0363094-A1 Fluorochemical surfactants and process for preparing same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-11 EP disclosed
US-4873020-A QUATERNARY AMINE SALTS ASSOCIATED WITH PERFLUOROALKYL SULFONAT ES; SOOD SURFACE TNESION DEPRESSANT PROPERTIES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-10-10 US disclosed