SCHEMBL85741

SCHEMBL85741

C=CCCC(C=C)(C=C)OC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 6/20 0.35
HSD17B10 Q99714 1/20 0.33
HPGD P15428 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
SCHEMBL28048226 0.80 TSHR (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13451882 0.78
SCHEMBL28392326 0.76 TSHR (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL3264759 0.72 TSHR (0.32) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28400227 0.69 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9147818 0.69 THRB (0.41) MAPK1SMN1; SMN2
SCHEMBL14000262 0.67 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14097780 0.67 ALDH1A1 (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL221767 0.66
SCHEMBL14983013 0.66 ALDH1A1 (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed