SCHEMBL7869472

SCHEMBL7869472

C/C=C(\C)C(=O)O.C=C(CC1CO1)C(=O)O.C=CC(=O)OCCCCO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.37
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL7867905 0.85 TSHR (0.40) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4853339 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL4853358 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL27465284 0.79 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL278138 0.78 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL272759 0.77 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14244603 0.76 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14244556 0.76 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14244380 0.76 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14244350 0.76 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4HPGDTP53

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-6309790-B1 ACRYLATED ESTER COPOLYMER HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2001-10-30 US claimed