SCHEMBL13237294

SCHEMBL13237294

CCOC(=O)/C(O)=C(\C#N)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
CYP2C9 P11712 1/20 0.46
MAPT P10636 7/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16043759 1.00 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL16534922 0.98 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL2115865 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL1754710 0.87 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL1118954 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL1118956 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL13264882 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL12722298 0.83 ALDH1A1 (0.53) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL13664238 0.81 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9MAPTKMT2A
SCHEMBL1261327 0.81 ALDH1A1 (0.55) ALDH1A1TSHRCYP2C9MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290443-B2 Preparation of 4-amino-2,4-dioxobutanoic acid LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-03-22 US claimed
US-9290442-B2 Preparation of 4-amino-2,4-dioxobutanoic acid LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-03-22 US claimed
US-20150065751-A1 Preparation of 4-Amino-2,4-Dioxobutanoic Acid NEW MEXICO HIGHLANDS UNIVERSITY (US) 2015-03-05 US claimed
US-20150065750-A1 Preparation of 4-Amino-2,4-Dioxobutanoic Acid NEW MEXICO HIGHLANDS UNIVERSITY (US) 2015-03-05 US claimed
US-20170197908-A1 SYNTHESIS OF 4-AMINO-2, 4-DIOXOBUTANOIC ACID Millennium Enterprises, Inc. 2017-07-13 US disclosed
US-9290442-B2 Preparation of 4-amino-2,4-dioxobutanoic acid LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-03-22 US disclosed
US-9290442-B2 Preparation of 4-amino-2,4-dioxobutanoic acid LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-03-22 US disclosed
US-9290443-B2 Preparation of 4-amino-2,4-dioxobutanoic acid LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-03-22 US disclosed
US-9290443-B2 Preparation of 4-amino-2,4-dioxobutanoic acid LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-03-22 US disclosed
US-20150065750-A1 Preparation of 4-Amino-2,4-Dioxobutanoic Acid NEW MEXICO HIGHLANDS UNIVERSITY (US) 2015-03-05 US disclosed
US-20150065751-A1 Preparation of 4-Amino-2,4-Dioxobutanoic Acid NEW MEXICO HIGHLANDS UNIVERSITY (US) 2015-03-05 US disclosed
US-20150065750-A1 Preparation of 4-Amino-2,4-Dioxobutanoic Acid NEW MEXICO HIGHLANDS UNIVERSITY (US) 2015-03-05 US disclosed
US-7749669-B2 Electrophotographic toner and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2010-07-06 US disclosed
US-7749669-B2 Electrophotographic toner and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2010-07-06 US disclosed
US-7678520-B2 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2010-03-16 US disclosed
US-7678520-B2 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2010-03-16 US disclosed
US-20070259282-A1 Electrophotographic toner, image forming method, dye and metal chelate dye KONICA MINOLTA HOLDINGS, INC. (JP) 2007-11-08 US disclosed
US-20070259282-A1 Electrophotographic toner, image forming method, dye and metal chelate dye KONICA MINOLTA HOLDINGS, INC. (JP) 2007-11-08 US disclosed
US-20070092819-A1 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-26 US disclosed
US-20070092819-A1 Method for producing electrophotographic toner and electrophotographic toner KONICA MINOLTA HOLDINGS, INC. (JP) 2007-04-26 US disclosed