SCHEMBL11240653

SCHEMBL11240653

C=C(C)C(=O)OC(C)COC(C)COCCC

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4815158 1.00 TDP1 (0.54) TDP1TSHRHSD17B10THRBALDH1A1
SCHEMBL11252889 1.00 TDP1 (0.54) TDP1TSHRHSD17B10THRBALDH1A1
SCHEMBL4063408 0.95 TDP1 (0.50) TDP1TSHRHSD17B10THRBALDH1A1
SCHEMBL503413 0.91 TDP1 (0.44) TDP1TSHRTHRBALDH1A1
SCHEMBL11111869 0.91 TDP1 (0.44) TDP1TSHRTHRBALDH1A1
SCHEMBL887703 0.91 TDP1 (0.44) TDP1TSHRTHRBALDH1A1
SCHEMBL4819070 0.89 TSHR (0.49) TDP1TSHR
SCHEMBL9173131 0.88 TSHR (0.47) TDP1TSHRTHRBALDH1A1
SCHEMBL5450809 0.88 TSHR (0.51) TDP1TSHR
SCHEMBL5449767 0.88 TSHR (0.51) TDP1TSHR

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-4310397-A SUSTAINED RELEASE; PREPARED BY IRRADIATION POLYMERIZATION JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1982-01-12 US disclosed