SCHEMBL811520

SCHEMBL811520

C=CCOCC(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CA4 P22748 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
SCHEMBL10633727 0.95 CA1 (0.50) CA1CA2CA7CA9ALDH1A1
SCHEMBL7868274 0.89 CA1 (0.45) CA1CA2CA7CA9
SCHEMBL10709620 0.87 CA1 (0.44) CA1CA2CA7CA9ALDH1A1
SCHEMBL4119213 0.84 CA1 (0.43) CA1CA2CA7CA9ALDH1A1
SCHEMBL7086367 0.84 CA1 (0.54) CA1CA2CA7CA9ALDH1A1
SCHEMBL15996372 0.79
SCHEMBL30534 0.78
SCHEMBL3093350 0.78
SCHEMBL6013926 0.78
SCHEMBL275316 0.78 CA1 (0.34) CA1CA2CA7CA9TSHR

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-2389399-A2 FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF Construction Research & Technology GmbH (DE) 2011-11-30 EP disclosed
US-20110256438-A1 WOUND-TYPE ACCUMULATOR JM ENERGY CORPORATION (JP) 2011-10-20 US disclosed
US-20090240004-A1 FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-09-24 US disclosed
WO-2008040428-A2 FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2008-04-10 WO disclosed