SCHEMBL10100422

SCHEMBL10100422

C=CC(=O)OCCOCC1(CC)COCOC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
HIF1A Q16665 2/20 0.49
HSD17B10 Q99714 1/20 0.49
THRB P10828 2/20 0.46
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.38

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
SCHEMBL7879723 0.94 TSHR (0.51) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26703785 0.93 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL275851 0.87 TSHR (0.40) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12099604 0.86 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12168484 0.86 TSHR (0.49) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12168487 0.85 TSHR (0.51) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL798095 0.84 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene Glycol SCHEMBL21408382 0.81 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10100417 0.81 THRB (0.51) TSHRALDH1A1THRB
SCHEMBL384901 0.81 TSHR (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140370250-A1 INKJET INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2014-12-18 US disclosed
US-8752950-B2 Inkjet ink composition, inkjet recording method, and printed material FUJIFILM CORPORATION (JP) 2014-06-17 US disclosed
US-20120026235-A1 INKJET INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-02-02 US disclosed