SCHEMBL18922845

SCHEMBL18922845

CC(C)(CC(C)(C)C(=O)O)OC=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL93263 0.74 TDP1 (0.48) TDP1
SCHEMBL8742918 0.74 ACLY (0.37) ACLYTDP1ACACBACACA
SCHEMBL2953323 0.73 HMGCR (0.44) TDP1TSHRALDH1A1CYP2D6CYP2C19
SCHEMBL797973 0.72 TSHR (0.47) ACLYTDP1TSHRALDH1A1ACACB
SCHEMBL8744252 0.72 ACLY (0.43) ACLYTDP1TSHRACACBACACA
SCHEMBL16542606 0.72 ACLY (0.40) ACLYTSHRALDH1A1ACACBACACA
SCHEMBL17001186 0.71
SCHEMBL8742300 0.71 ACLY (0.39) ACLYTDP1TSHRACACBACACA
SCHEMBL18998936 0.71 ACLY (0.46) ACLYTDP1TSHRACACBACACA
SCHEMBL12092642 0.71 ACACB (0.62) ACLYTDP1TSHRACACBACACA

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-9791776-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-9671693-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed