SCHEMBL4268170

SCHEMBL4268170

CC(=O)O[C@H]([C@H](OC(C)=O)[C@H](C=O)OC(C)=O)[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
AKR1B1 P15121 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5167233 1.00 TDP1 (0.34) TDP1AKR1B1TSHR
SCHEMBL7681610 0.88 TDP1 (0.33) TDP1AKR1B1TSHR
SCHEMBL27671086 0.85 TSHR (0.36) TDP1AKR1B1TSHR
SCHEMBL755228 0.84 TSHR (0.42) TDP1TSHR
Acetic Acid SCHEMBL10782395 0.84 LMNA (0.31)
SCHEMBL28554669 0.83 TDP1 (0.47) TDP1
SCHEMBL669311 0.83 TDP1 (0.47) TDP1
SCHEMBL3489131 0.83 TDP1 (0.47) TDP1
SCHEMBL845645 0.83 TDP1 (0.47) TDP1
SCHEMBL23121474 0.82 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084016-B2 Measurement of biosynthesis and breakdown rates of biological molecules that are inaccessible or not easily accessible to direct sampling, non-invasively, by label incorporation into metabolic derivatives and catabolitic products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-27 US disclosed
US-20090041661-A1 MEASUREMENT OF BIOSYNTHESIS AND BREAKDOWN RATES OF BIOLOGICAL MOLECULES THAT ARE INACCESSIBLE OR NOT EASILY ACCESSIBLE TO DIRECT SAMPLING, NON-INVASIVELY, BY LABEL INCORPORATION INTO METABOLIC DERIVATIVES AND CATABOLITIC PRODUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-12 US disclosed
US-7449171-B2 Measurement of biosynthesis and breakdown rates of biological molecules that are inaccessible or not easily accessible to direct sampling, non-invasively, by label incorporation into metabolic derivatives and catabolic products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-11 US disclosed
EP-1483399-B1 MEASUREMENT OF BIOSYNTHESIS AND BREAKDOWN RATES OF BIOLOGICAL MOLECULES THAT ARE INACCESSIBLE OR NOT EASILY ACCESSIBLE TO DIRECT SAMPLING, NON-INVASIVELY, BY LABEL INCORPORATION INTO METABOLIC DERIVATIVES AND CATABOLITIC PRODUCTS UNIV CALIFORNIA (US) 2008-10-29 EP disclosed
EP-1483399-A4 MEASUREMENT OF BIOSYNTHESIS AND BREAKDOWN RATES OF BIOLOGICAL MOLECULES THAT ARE INACCESSIBLE OR NOT EASILY ACCESSIBLE TO DIRECT SAMPLING, NON-INVASIVELY, BY LABEL INCORPORATION INTO METABOLIC DERIVATIVES AND CATABOLITIC PRODUCTS UNIV CALIFORNIA (US) 2006-07-19 EP disclosed
EP-1483399-A2 MEASUREMENT OF BIOSYNTHESIS AND BREAKDOWN RATES OF BIOLOGICAL MOLECULES THAT ARE INACCESSIBLE OR NOT EASILY ACCESSIBLE TO DIRECT SAMPLING, NON-INVASIVELY, BY LABEL INCORPORATION INTO METABOLIC DERIVATIVES AND CATABOLITIC PRODUCTS The Regents of the University of California (US) 2004-12-08 EP disclosed
US-20030228259-A1 Measurement of biosynthesis and breakdown rates of biological molecules that are inaccessible or not easily accessible to direct sampling, non-invasively, by label incorporation into metabolic derivatives and catabolitic products REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-12-11 US disclosed
WO-2003068919-A2 NON-INVASIVE METHOD FOR MEASURING RATES OF BIOSYNTHESIS OF BIOLOGICAL MOLECULES BY LABEL INCORPORATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-08-21 WO disclosed