SCHEMBL7942010

SCHEMBL7942010

C=CC(=O)OCCOCCOCCOCCOCC1CO1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.63
ALDH1A1 P00352 7/20 0.63
TP53 P04637 4/20 0.63
HIF1A Q16665 3/20 0.63
HSD17B10 Q99714 1/20 0.63
THRB P10828 2/20 0.45
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL8016688 1.00 TSHR (0.63) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL672435 0.98 TSHR (0.60) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19837293 0.92 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL268151 0.89 TSHR (0.58) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL673071 0.89 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14244554 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14244349 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14244379 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5146821 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL14244497 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10

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
CN-1136250-C Crosslinked solid polyelectrolytes and their use ������������ʽ���� 2004-01-28 CN disclosed
US-6239204-B1 COPOLYETHER FROM A GLYCIDYLOXY (POLY)OXYALKYLENE COMPOUND AND AN ALKYLENE EPOXIDE BAISO CO., LTD. (JP) 2001-05-29 US disclosed