SCHEMBL798095

SCHEMBL798095

C=CC(=O)OCCC1(CC)COCOC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1357080 0.94 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL275851 0.84 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10100422 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL21385223 0.84 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2883250 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2883665 0.81 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL24321395 0.79 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL798599 0.79 THRB (0.44) TSHRALDH1A1THRB
Ethylene Glycol SCHEMBL21408382 0.78 TSHR (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2884050 0.78 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248668-B2 Inkjet recording apparatus and inkjet recording method FUJIFILM CORPORATION (JP) 2016-02-02 US disclosed
US-20150231892-A1 INKJET RECORDING APPARATUS AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2015-08-20 US disclosed
US-9010914-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2015-04-21 US disclosed
US-8991994-B2 Ink pack FUJIFILM CORPORATION (JP) 2015-03-31 US disclosed
US-8807728-B2 Inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed
US-20140063149-A1 INK PACK FUJIFILM CORPORATION (JP) 2014-03-06 US disclosed
US-20130016166-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2013-01-17 US disclosed
US-20120069082-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed