SCHEMBL8092079

SCHEMBL8092079

[2H]N1C(=O)CC(OC(C)=O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 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
SCHEMBL57232 0.81 MAP3K14 (0.39) POLBALOX15TSHR
SCHEMBL8080480 0.79 POLB (0.33) POLBALOX15TSHR
SCHEMBL9422582 0.70
SCHEMBL29783469 0.69
SCHEMBL28226112 0.67 DDB1 (0.33) POLB
SCHEMBL11084174 0.67 POLB (0.35) POLBALOX15TSHR
SCHEMBL11084182 0.67 POLB (0.35) POLBALOX15TSHR
SCHEMBL11084177 0.67 POLB (0.35) POLBALOX15TSHR
SCHEMBL26328452 0.67 DDB1 (0.52)
SCHEMBL8567471 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed