SCHEMBL22688963

SCHEMBL22688963

COC(C(O)C(=O)O)C(O)C(O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.39
PDE4A P27815 1/20 0.39
TP53 P04637 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
ALDH1A1 P00352 1/20 0.31
PGD P52209 1/20 0.30

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
SCHEMBL29455702 1.00 TSHR (0.43) TSHRCYP2C9PDE4ATP53SLC1A3
SCHEMBL570719 0.89 TSHR (0.38) TSHRCYP2C9PDE4ATP53SLC1A3
SCHEMBL10146952 0.88 TSHR (0.41) TSHRCYP2C9PDE4ATP53SLC1A3
SCHEMBL20986908 0.84 SLC1A3 (0.45) TSHRCYP2C9PDE4ATP53SLC1A3
SCHEMBL12610770 0.84 SLC1A3 (0.45) TSHRCYP2C9PDE4ATP53SLC1A3
SCHEMBL76123 0.81 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL21964008 0.81 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL20557370 0.81 PDE4A (0.57) TSHRCYP2C9PDE4AALDH1A1PGD
SCHEMBL14621237 0.81 PDE4A (0.57) TSHRCYP2C9PDE4AALDH1A1PGD
SCHEMBL21617331 0.81 PDE4A (0.57) TSHRCYP2C9PDE4APGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315957-A1 ENZYMATIC PRODUCTION OF GLUCARIC ACID FROM GLUCURONIC ACID THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-10-06 US claimed
US-20220315957-A1 ENZYMATIC PRODUCTION OF GLUCARIC ACID FROM GLUCURONIC ACID THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-10-06 US disclosed
EP-3969600-A1 ENZYMATIC PRODUCTION OF GLUCARIC ACID FROM GLUCURONIC ACID The Governing Council of the University of Toronto (CA) 2022-03-23 EP disclosed
WO-2020232536-A1 ENZYMATIC PRODUCTION OF GLUCARIC ACID FROM GLUCURONIC ACID THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-11-26 WO disclosed