SCHEMBL9015677

SCHEMBL9015677

CC(C)(C)OOC(C)(CCC(=O)Cl)OOC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL464934 0.80 NAALAD2 (0.41) TSHRTDP1ALDH1A1
Hydrogen Peroxide SCHEMBL28311497 0.80 NAALAD2 (0.41) TSHRTDP1ALDH1A1
SCHEMBL9149459 0.78 ALDH1A1 (0.41) TSHRTDP1ALDH1A1
SCHEMBL11210589 0.78 NAALAD2 (0.39) TSHRTDP1ALDH1A1
SCHEMBL9145760 0.78 TSHR (0.50) TSHRTDP1ALDH1A1
SCHEMBL9015585 0.77 TSHR (0.33) TSHRTDP1
SCHEMBL11210587 0.77 FFAR3 (0.36) TSHRTDP1
SCHEMBL11706849 0.75 DGKA (0.39) TSHRTDP1
SCHEMBL8619718 0.75 TSHR (0.32) TSHRTDP1
SCHEMBL9015700 0.74 CTSD (0.43) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed