SCHEMBL8930258

SCHEMBL8930258

CCCOC(C)COC(C)COC(C)CO.COC(C)COC(C)COC(C)CO

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL14742602 1.00 TDP1 (0.44) TDP1HSD17B10USP2
SCHEMBL28089889 0.93 TDP1 (0.40) TDP1USP2
SCHEMBL11144380 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL29850 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL2956700 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL25240395 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL19985781 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL55749 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL12755494 0.92 TDP1 (0.50) TDP1HSD17B10USP2
SCHEMBL25285050 0.92 TDP1 (0.50) TDP1HSD17B10USP2

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-5612303-A HYDROXY OR ETHERIFIED ESTERS NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-03-18 US claimed