SCHEMBL1696753

SCHEMBL1696753

C=C(C)C(=O)OCCOC(=O)/C=C/C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
TSHR P16473 7/20 0.52
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 6/20 0.45
ALDH1A1 P00352 6/20 0.41
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL550425 1.00 THRB (0.59) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL9155949 1.00 THRB (0.59) THRBTSHRATMHCAR2ALDH1A1
Hydroxyl Radical SCHEMBL28333149 0.98 THRB (0.57) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL194313 0.92 HCAR2 (0.58) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL2612369 0.92 THRB (0.52) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL27995253 0.92 THRB (0.52) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL5082364 0.92 HCAR2 (0.58) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL698817 0.92 HCAR2 (0.58) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL29132465 0.92 THRB (0.52) THRBTSHRATMHCAR2ALDH1A1
SCHEMBL1886812 0.92 HCAR2 (0.58) THRBTSHRATMHCAR2ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141522-A1 BIODEGRADABLE SUPERABSORBER GEOHUMUS INTERNATIONAL RESEARCH & DEVELOPMENT GMBH (DE) 2011-11-17 WO disclosed
WO-2011141526-A1 BIODEGRADABLE WATER-SWELLABLE HYBRID MATERIAL GEOHUMUS INTERNATIONAL RESEARCH & DEVELOPMENT GMBH (DE) 2011-11-17 WO disclosed
US-7371466-B2 Polymerisation initiators, polymerisable compositions, and uses thereof for bonding low surface energy substrates LOCTITE (R & D) LIMITED (IE) 2008-05-13 US disclosed
US-7267886-B2 Polymerisation initiators, polymerisable compositions, and uses thereof for bonding low surface energy substrates LOCTITE (R&D) LIMITED (IE) 2007-09-11 US disclosed
US-7189463-B2 Polymerisation initiators, polymerisable compositions, and uses thereof for bonding low surface energy substrates LOCTITE (R&D) LIMITED (IE) 2007-03-13 US disclosed
US-6939932-B2 Using complex as free radical catalyst LOCTITE (R&D) LIMITED (IE) 2005-09-06 US disclosed
US-20050154160-A1 Polymerisation initiators, polymerisable compositions, and uses thereof for bonding low surface energy substrates LOCTITE (R&D) LIMITED 2005-07-14 US disclosed
EP-1328597-B1 QUATERNARY BORON COMPOUND POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS AND USES THEREOF FOR BONDING LOW SURFACE ENERGY SUBSTRATES LOCTITE R & D LTD (IE) 2005-03-02 EP disclosed
US-6844080-B2 Metal alkyl borphydride polymerisation initiators, polymerisable compositions, and uses thereof LOCTITE (R&D) LIMITED (IE) 2005-01-18 US disclosed
US-20040097673-A1 Metal alkyl borphydride polymerisation initiators, polymerisable compositions, and uses thereof HENKEL AG & CO. KGAA (DE) 2004-05-20 US disclosed
US-20030226472-A1 Polymerisation initiators, polymerisable compositions, and uses thereof for bonding low surface energy substrates LOCTITE (R&D) LIMITED 2003-12-11 US disclosed
WO-2003089536-A2 POLYMERISATION INITIATORS BASED ON AMMONIUM TETRAALKYL BORANES, POLYMERISABLE COMPOSITIONS, AND USES THEREOF FOR BONDING LOW SURFACE ENERGY SUBSTRATES LOCTITE (R & D) LIMITED (IE) 2003-10-30 WO disclosed
US-6632908-B1 Includes a (meth)acrylate component and an initiator system including an organometallic compound, a peroxy compound, an aziridine functionalized compound, and a compound having an acid functional group HENKEL LOCTITE CORPORATION 2003-10-14 US disclosed
EP-1328597-A1 QUATERNARY BORON COMPOUND POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS AND USES THEREOF FOR BONDING LOW SURFACE ENERGY SUBSTRATES Loctite (R & D) Limited (IE) 2003-07-23 EP disclosed
WO-2002034852-A1 METAL ALKYL BOROHYDRIDE POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS, AND USES THEREOF LOCTITE (R & D) LIMITED (IE) 2002-05-02 WO disclosed
WO-2002034851-A1 QUATERNARY BORON COMPOUND POLYMERISATION INITIATORS, POLYMERISABLE COMPOSITIONS, AND USES THEREOF FOR BONDING LOW SURFACE ENERGY SUBSTRATES LOCTITE (R & D) LIMITED (IE) 2002-05-02 WO disclosed
EP-1201722-A1 Polymerisation initiators, polymerisable compositions, and uses thereof Loctite (R & D) Limited (IE) 2002-05-02 EP disclosed
EP-0353030-B1 Photopolymerization initiator and photosensitive composition employing the same CANON KK (JP) 1995-03-15 EP disclosed
US-5124235-A Photopolymerization initiator and photosensitive composition employing the same CANON KABUSHIKI KAISHA (JP) 1992-06-23 US disclosed
EP-0353030-A2 Photopolymerization initiator and photosensitive composition employing the same CANON KABUSHIKI KAISHA (JP) 1990-01-31 EP disclosed