SCHEMBL5180100

SCHEMBL5180100

O=C(F)C(F)(F)C(F)(F)OC(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 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.32
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 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
SCHEMBL9728325 0.91 THRB (0.36) THRBALDH1A1
SCHEMBL17868578 0.89 THRB (0.34) THRBALDH1A1
SCHEMBL17868576 0.89 THRB (0.34) THRBALDH1A1
SCHEMBL5680502 0.83
SCHEMBL15792486 0.83 THRB (0.60) THRBALDH1A1F2PRSS1PRSS2
SCHEMBL7262110 0.83 THRB (0.60) THRBALDH1A1F2PRSS1PRSS2
SCHEMBL2894825 0.83 THRB (0.60) THRBALDH1A1F2PRSS1PRSS2
SCHEMBL23648012 0.82 ALDH1A1 (0.37) THRBALDH1A1
SCHEMBL27598857 0.81 THRB (0.37) THRB
SCHEMBL5165277 0.80

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
EP-1572616-B1 SELECTIVE REACTION OF HEXAFLUOROPROPYLENE OXIDE WITH PERFLUOROACYL FLUORIDES 3M INNOVATIVE PROPERTIES CO (US) 2007-04-11 EP disclosed
EP-1572616-A1 SELECTIVE REACTION OF HEXAFLUOROPROPYLENE OXIDE WITH PERFLUOROACYL FLUORIDES 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004060849-A1 SELECTIVE REACTION OF HEXAFLUOROPROPYLENE OXIDE WITH PERFLUOROACYL FLUORIDES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed
US-20040116742-A1 Selective reaction of hexafluoropropylene oxide with perfluoroacyl fluorides 3M INNOVATIVE PROPERTIES COMPANY 2004-06-17 US disclosed