SCHEMBL8626720

SCHEMBL8626720

CC(C)(C)OOC(=O)OO

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL303730 0.85 TSHR (0.44) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL21753801 0.84 TSHR (0.33) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL20319677 0.81 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL42540 0.80 TSHR (0.41) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL1333110 0.78 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL12688305 0.78 ALDH1A1 (0.40) TSHRTDP1ALDH1A1HSD17B10
Ethaneperoxoic Acid SCHEMBL8898688 0.76 ALDH1A1 (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL4378823 0.76 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL3920190 0.76 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL8506735 0.76 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10

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-5837777-A CATALYTIC ADDITION POLMERIZATION OF ACRYLATE MONOMER, REACTION WITH OTHER MONOMERS FOR MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-11-17 US disclosed