SCHEMBL6898759

SCHEMBL6898759

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.50
CA1 P00915 14/20 0.48
MMP1 P03956 6/20 0.48
MMP2 P08253 6/20 0.48
MMP9 P14780 6/20 0.48
MMP8 P22894 6/20 0.48
MMP13 P45452 6/20 0.48
F2 P00734 4/20 0.43
PRSS1 P07477 4/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
THRB P10828 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
SCHEMBL73684 0.97 CA2 (0.52) CA2CA1MMP1MMP2MMP9
SCHEMBL585308 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL584177 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL302264 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL7660482 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL585171 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL3838335 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL584864 0.94 CA2 (0.56) CA2CA1MMP1MMP2MMP9
SCHEMBL156570 0.88 CA2 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL867361 0.87 CA2 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131270-B1 PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE 3M INNOVATIVE PROPERTIES CO (US) 2004-04-07 EP claimed