SCHEMBL3196704

SCHEMBL3196704

C=CB(O)Oc1ccccc1OB(O)C=C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SRC P12931 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LIPE Q05469 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
SCHEMBL403639 0.87 CA2 (0.43) ENPP2HPGDTSHRMAPK1HSD17B10
SCHEMBL511746 0.79 CA1 (0.39) ENPP2ORAI1ORAI2ORAI3TSHR
SCHEMBL3196690 0.75 CA1 (0.31) ENPP2CA1CA2
SCHEMBL6678412 0.71 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3HPGD
SCHEMBL29706601 0.71 ENPP2 (0.44) ENPP2ORAI1ORAI2ORAI3HPGD
SCHEMBL7166372 0.67 HPGD (0.51) HPGDTSHRMAPK1HSD17B10ALDH1A1
SCHEMBL11176830 0.67 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3HPGD
SCHEMBL29506645 0.67 ALDH1A1 (0.40) ENPP2ORAI1ORAI2ORAI3HPGD
SCHEMBL2933439 0.67 CA1 (0.54) ENPP2ORAI1ORAI2ORAI3TSHR
SCHEMBL3421122 0.67 ALDH1A1 (0.40) ENPP2ORAI1ORAI2ORAI3HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671166-B2 High internal free volume compositions for low-k dielectric and other applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-03-02 US disclosed
EP-1313785-B1 COMPOSITION COMPRISING IPTYCENE POLYMERS WITH HIGH INTERNAL VOLUME MASSACHUSETTS INST TECHNOLOGY (US) 2009-04-01 EP disclosed
US-7494698-B2 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-24 US disclosed
US-20080188634-A1 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-08-07 US disclosed
WO-2007062210-A2 HIGH INTERNAL FREE VOLUME COMPOSITIONS FOR LOW-K DIELECTRIC AND OTHER APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-31 WO disclosed
US-20070117954-A1 High internal free volume compositions for low-k dielectric and other applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-05-24 US disclosed
US-20040170775-A1 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-02 US disclosed
US-6783814-B2 GRAFT POLYMER OF POROUS POLYMER AND INTERPENETRATING POLYMER NETWORK MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-08-31 US disclosed
EP-1313785-A2 POLYMERS WITH HIGH INTERNAL FREE VOLUME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2003-05-28 EP disclosed
WO-2002016463-A9 POLYMERS WITH HIGH INTERNAL FREE VOLUME MASSACHUSETTS INST TECHNOLOGY (US) 2003-04-03 WO disclosed
US-20020150697-A1 Polymers with high internal free volume NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA 2002-10-17 US disclosed
WO-2002016463-A2 POLYMERS WITH HIGH INTERNAL FREE VOLUME MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-02-28 WO disclosed