SCHEMBL29083540

SCHEMBL29083540

CCCOCC(C)OC(C)COC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 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
SCHEMBL17280908 0.85 TDP1 (0.58) TDP1HSD17B10MAPK1
SCHEMBL9964658 0.82 MAPK1 (0.55) MAPK1
SCHEMBL17280905 0.79 TDP1 (0.52) TDP1HSD17B10MAPK1
SCHEMBL17872126 0.77 TDP1 (0.67) TDP1HSD17B10
SCHEMBL17927989 0.77 TDP1 (0.50) TDP1HSD17B10MAPK1
SCHEMBL4893450 0.77 MAPK1 (0.44) TDP1HSD17B10MAPK1
SCHEMBL27625707 0.76 TDP1 (0.54) TDP1HSD17B10
SCHEMBL13492168 0.75 HSD17B10 (0.52) TDP1HSD17B10MAPK1
SCHEMBL18746396 0.75 TDP1 (0.48) TDP1HSD17B10
SCHEMBL17927977 0.73 TDP1 (0.47) TDP1HSD17B10

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
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN disclosed