SCHEMBL7934532

SCHEMBL7934532

C/C=C/C(=O)OCC(C)O.C/C=C/C(=O)OCCO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 4/20 0.34
MAPT P10636 1/20 0.34
GSTP1 P09211 1/20 0.32
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7934533 1.00 TSHR (0.46) TSHRATMHCAR2MAPTGSTP1
SCHEMBL17807666 0.91 TSHR (0.50) TSHRATMHCAR2MAPTHPGD
SCHEMBL573015 0.89 TSHR (0.47) TSHRATMHCAR2MAPTGSTP1
SCHEMBL573016 0.89 TSHR (0.47) TSHRATMHCAR2MAPTGSTP1
SCHEMBL30172130 0.89 TSHR (0.47) TSHRATMHCAR2MAPTGSTP1
SCHEMBL573141 0.85
SCHEMBL305484 0.85
Sulfuric Acid SCHEMBL27970477 0.82 TSHR (0.41) TSHRATMHCAR2MAPTGSTP1
SCHEMBL2808160 0.79 TSHR (0.52) TSHRATMHCAR2MAPTHPGD
SCHEMBL2465097 0.79 TSHR (0.52) TSHRATMHCAR2MAPTHPGD

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-6242046-B1 BLEND OF POLYMER, METAL OXIDE, SOLVENT AND WATER BASF NOF COATINGS COMPANY, LIMITED (JP) 2001-06-05 US disclosed