SCHEMBL6444472

SCHEMBL6444472

CC(C=O)C(C)CCC=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21404137 0.80 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL21404136 0.80 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL1783577 0.78
SCHEMBL23892698 0.77 ALOX15 (0.52) ALDH1A1TSHR
SCHEMBL22111423 0.77 ALOX15 (0.52) ALDH1A1TSHR
SCHEMBL233123 0.77 ALOX15 (0.52) ALDH1A1TSHR
SCHEMBL14248199 0.77 ALOX15 (0.52) ALDH1A1TSHR
SCHEMBL4756088 0.76
SCHEMBL1410409 0.76
SCHEMBL11939964 0.76

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
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed