SCHEMBL4456004

SCHEMBL4456004

CCCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.47
CA1 P00915 17/20 0.47
CA9 Q16790 8/20 0.38
CA12 O43570 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
RECQL P46063 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX2 P34913 1/20 0.36
BLM P54132 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL1932935 0.95 CA1 (0.46) CA2CA1CA9CA12CA7
SCHEMBL11626216 0.93 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL27877423 0.91 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL27908673 0.91 CA2 (0.46) CA2CA1CA9CA12CA7
SCHEMBL9047614 0.91 CA1 (0.41) CA2CA1CA9CA12CA7
SCHEMBL8769279 0.91 CA1 (0.41) CA2CA1CA9CA12CA7
Ammonia Solution, Strong SCHEMBL28108606 0.90 CA2 (0.45) CA2CA1CA9CA12CA7
SCHEMBL575854 0.88 CA2 (0.51) CA2CA1CA9TSHRMMP1
SCHEMBL576013 0.88 CA2 (0.51) CA2CA1CA9CA12CA7
SCHEMBL9047624 0.87 CA1 (0.39) CA2CA1CA9CA12CA7

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
CN-102307964-A Pressure-sensitive adhesive composition for optical film KURARAY CO 2012-01-04 CN disclosed
EP-2057109-A2 ADDITION REACTIONS USING TRANSITION METAL CATALYSTS IN HALOGENATED SOLVENTS BASF SE (DE) 2009-05-13 EP disclosed
WO-2008046918-A2 ADDITION REACTIONS USING TRANSITION METAL CATALYSTS IN HALOGENATED SOLVENTS BASF SE (DE) 2008-04-24 WO disclosed