SCHEMBL22322503

SCHEMBL22322503

O=C(OS(=O)(=O)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)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)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
CA2 P00918 15/20 0.42
CA1 P00915 14/20 0.42
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP8 P22894 4/20 0.42
MMP13 P45452 4/20 0.42
F2 P00734 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39

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
SCHEMBL16505929 0.98 THRB (0.42) THRBCA2CA1MMP1MMP2
SCHEMBL27809184 0.86 CA2 (0.44) THRBCA2CA1MMP1MMP2
SCHEMBL27677621 0.80 THRB (0.46) THRBCA2CA1MMP1MMP2
SCHEMBL29157502 0.78 CA2 (0.44) THRBCA2CA1MMP1MMP2
SCHEMBL28064218 0.78 THRB (0.45) THRBCA2CA1MMP1MMP2
SCHEMBL27712919 0.78 THRB (0.45) THRBCA2CA1MMP1MMP2
Potassium Ion SCHEMBL27498497 0.77 THRB (0.43) THRBCA2CA1MMP1MMP2
SCHEMBL29066797 0.77 THRB (0.43) THRBCA2CA1MMP1MMP2
SCHEMBL27641982 0.77 THRB (0.43) THRBCA2CA1MMP1MMP2
SCHEMBL7174850 0.76 CA1 (0.45) THRBCA2CA1F2PRSS1

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-20220126270-A1 CAPTURE OF FLUORINATED CARBON COMPOUNDS THE UNIVERSITY OF QUEENSLAND (AU) 2022-04-28 US disclosed
EP-3921080-A1 CAPTURE OF FLUORINATED CARBON COMPOUNDS The University of Queensland (AU) 2021-12-15 EP disclosed
WO-2020160626-A1 CAPTURE OF FLUORINATED CARBON COMPOUNDS THE UNIVERSITY OF QUEENSLAND (AU) 2020-08-13 WO disclosed