SCHEMBL9015598

SCHEMBL9015598

CCC(C)(C)OOC(C)(CCCO)OOC(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9625884 0.80 TSHR (0.36) TSHRALDH1A1TDP1
SCHEMBL8614972 0.77 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL9770093 0.76 CYP4F2 (0.39) TSHRCYP4F2CYP4A11SMN1; SMN2ALDH1A1
SCHEMBL11309325 0.74 CYP4F2 (0.42) TSHRCYP4F2CYP4A11SMN1; SMN2ALDH1A1
SCHEMBL1421407 0.73 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL27338468 0.73 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL27338362 0.73 TSHR (0.52) TSHRALDH1A1TDP1
Methyl Alcohol SCHEMBL8027284 0.72 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL22437 0.72 TSHR (0.56) TSHRALDH1A1TDP1
SCHEMBL22150 0.71 ALDH1A1 (0.42) TSHRALDH1A1TDP1HSD17B10MEN1

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