SCHEMBL1133908

SCHEMBL1133908

C=C(C)C(=O)OC.C=C(CC)C(=O)O.C=CC(=O)OCCCC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.41
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 3/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Methacrylic Acid SCHEMBL28182706 0.99 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ATM
Methacrylic Acid SCHEMBL2018446 0.92 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4ATM
Itaconate SCHEMBL6247056 0.91 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ATM
Methacrylic Acid SCHEMBL10809413 0.91 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4ATM
Methacrylic Acid SCHEMBL12544881 0.90 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
Acetic Acid SCHEMBL27996824 0.90 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL7532090 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5844442 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL521825 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL35081 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841341-B1 USE OF A STACK TO IMPROVE THE TRANSVERSE ELECTRIC CONDUCTIVITY OF A COMPOSITE COMPONENT HEXCEL REINFORCEMENTS (FR) 2020-08-05 EP claimed
EP-2051750-B1 COATINGS FOR MEDICAL DEVICES COMPRISING A THERAPEUTIC AGENT AND A METALLIC MATERIAL BOSTON SCIENT LTD (BM) 2017-03-01 EP claimed
US-20150028514-A1 USE, IN THE MANUFACTURE OF A COMPOSITE COMPONENT, OF A PENETRATION OPERATION TO IMPROVE THE TRANSVERSE ELECTRIC CONDUCTIVITY OF THE COMPOSITE COMPONENT HEXCEL REINFORCEMENTS (US) 2015-01-29 US claimed
EP-3507085-A1 PREFORM, FRAMEWORK PART, AND METHOD FOR PRODUCING SUCH A PREFORM Porcher Industries (FR) 2019-07-10 EP disclosed
EP-2051750-B1 COATINGS FOR MEDICAL DEVICES COMPRISING A THERAPEUTIC AGENT AND A METALLIC MATERIAL BOSTON SCIENT LTD (BM) 2017-03-01 EP disclosed
US-20150028514-A1 USE, IN THE MANUFACTURE OF A COMPOSITE COMPONENT, OF A PENETRATION OPERATION TO IMPROVE THE TRANSVERSE ELECTRIC CONDUCTIVITY OF THE COMPOSITE COMPONENT HEXCEL REINFORCEMENTS (US) 2015-01-29 US disclosed
US-8815275-B2 Coatings for medical devices comprising a therapeutic agent and a metallic material BOSTON SCIENTIFIC SCIMED, INC. (US) 2014-08-26 US disclosed
US-20120323308-A1 Coatings for Medical Devices Comprising a Therapeutic Agent and a Metallic Material BOSTON SCIENTIFIC SCIMED, INC. (US) 2012-12-20 US disclosed
EP-2285879-A1 IMPROVED CONDUCTIVITY OF RESIN MATERIALS AND COMPOSITE MATERIALS Hexcel Composites Limited (GB) 2011-02-23 EP disclosed
WO-2009147415-A1 IMPROVED CONDUCTIVITY OF RESIN MATERIALS AND COMPOSITE MATERIALS HEXCEL COMPOSITES LIMITED (GB) 2009-12-10 WO disclosed
US-20080003251-A1 Coatings for medical devices comprising a therapeutic agent and a metallic material BOSTON SCIENTIFIC SCIMED, INC. 2008-01-03 US disclosed