SCHEMBL11037398

SCHEMBL11037398

C=C(OOC(C)(C)C)OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TET2 Q6N021 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
SCHEMBL17490928 0.76 DGAT1 (0.34) TDP1HSD17B10TET2
SCHEMBL5689894 0.76 TSHR (0.42) TDP1HSD17B10TSHRALDH1A1
SCHEMBL209234 0.75
SCHEMBL9152581 0.74 TSHR (0.40) TDP1HSD17B10TSHRALDH1A1
SCHEMBL322941 0.71 HSD17B10 (0.35) TDP1HSD17B10
Hydrazine SCHEMBL28251779 0.70 TSHR (0.45) TDP1HSD17B10TSHRALDH1A1
SCHEMBL542902 0.68 TSHR (0.35) TDP1HSD17B10TSHRALDH1A1
SCHEMBL42540 0.67 TSHR (0.41) TDP1HSD17B10TSHRALDH1A1
Hydrogen Peroxide SCHEMBL6657321 0.67 ALDH1A1 (0.46) TDP1HSD17B10TSHRALDH1A1
SCHEMBL2884637 0.67 ALDH1A1 (0.46) TDP1HSD17B10TSHRALDH1A1

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
JP-59182865-A None JP disclosed
JP-S59182865-A PRIMER COMPOSITION FOR BONDING TORAY SILICONE CO LTD 1984-10-17 JP disclosed