SCHEMBL4635102

SCHEMBL4635102

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)OCCN(CC)CC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.38
RAD52 P43351 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
SLC6A2 P23975 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
SCN2A Q99250 1/20 0.37

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
SCHEMBL28499275 0.93 TSHR (0.75) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3308977 0.90 TSHR (0.64) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10938721 0.89 TSHR (0.55) TSHRPOLBAPEX1HTTTDP1
SCHEMBL148783 0.89 ALDH1A1 (0.52) TSHRPOLBALDH1A1THRBNPSR1
SCHEMBL3190827 0.87 TSHR (0.86) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9299625 0.87 TSHR (0.86) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7535600 0.87 TSHR (0.86) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18221812 0.87 TSHR (0.86) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2060012 0.87 TSHR (0.86) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7089029 0.87 TSHR (0.86) TSHRPOLBAPEX1HTTTDP1

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
EP-1767599-B1 Ink composition for inkjet and method for preparing the same FUJIFILM CORP (JP) 2008-06-11 EP disclosed
US-20070070158-A1 Ink composition for inkjet and method for preparing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
EP-1767599-A1 Ink composition for inkjet and method for preparing the same FUJIFILM Corporation (JP) 2007-03-28 EP disclosed