SCHEMBL1789504

SCHEMBL1789504

C=CC(=O)OC(=O)/C=C/C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 10/20 0.48
TSHR P16473 7/20 0.45
TP53 P04637 3/20 0.45
EGLN1 Q9GZT9 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.32

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
SCHEMBL460475 1.00 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL725566 1.00 HCAR2 (0.48) HCAR2TSHRTP53EGLN1EGLN3
Ethylene SCHEMBL28659581 0.98 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL30757889 0.98 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL28820086 0.98 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
Ethylene SCHEMBL6860752 0.98 HCAR2 (0.46) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL1672343 0.95 TSHR (0.50) HCAR2TSHRTP53EGLN1EGLN3
Ethylene Glycol SCHEMBL4147707 0.91 TSHR (0.43) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL460474 0.89 TSHR (0.40) HCAR2TSHRTP53LMNAALDH1A1
SCHEMBL1502682 0.89 TSHR (0.40) HCAR2TSHRTP53LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111823-B The curable liquid and ink applied for toy and food packaging 爱克发有限公司 2018-05-18 CN disclosed
US-9796865-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2017-10-24 US disclosed
US-20150050427-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA NV (BE) 2015-02-19 US disclosed
US-8940811-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2015-01-27 US disclosed
US-8563624-B2 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2013-10-22 US disclosed
US-20130236654-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2013-09-12 US disclosed
US-20110124768-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2011-05-26 US disclosed
EP-2053103-B1 Curable liquids and inks for toys and food packaging applications AGFA GRAPHICS NV (BE) 2010-10-06 EP disclosed
WO-2009053305-A1 CURABLE LIQUIDS AND INKS FOR TOYS AND FOOD PACKAGING APPLICATIONS AGFA GRAPHICS NV (BE) 2009-04-30 WO disclosed
EP-2053103-A1 Curable liquids and inks for toys and food packaging applications Agfa Graphics N.V. (BE) 2009-04-29 EP disclosed