SCHEMBL6427005

SCHEMBL6427005

C=C(C)C(=O)OCCC(OCC)OC(=O)C(=C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
TSHR P16473 4/20 0.46
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 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
SCHEMBL7175096 0.91 THRB (0.56) THRBTSHRPOLBAPEX1HTT
SCHEMBL36880 0.84 ALDH1A1 (0.40) THRBTSHRTDP1ALDH1A1
SCHEMBL15901830 0.83 THRB (0.38) THRBTSHRALDH1A1
Ethylene SCHEMBL1812457 0.81 TSHR (0.52) THRBTSHRALDH1A1
SCHEMBL12286440 0.81 TSHR (0.56) THRBTSHRPOLBAPEX1HTT
SCHEMBL16949690 0.81 TSHR (0.43) THRBTSHRALDH1A1
SCHEMBL234129 0.80 THRB (0.41) THRBTSHRALDH1A1
SCHEMBL27951005 0.80 TSHR (0.46) THRBTSHR
SCHEMBL10600567 0.80 THRB (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL9296328 0.79 THRB (0.55) THRBTSHRPOLBAPEX1HTT

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-6918662-B2 Ink composition and inkjet recording method and apparatus using the ink composition RICOH COMPANY LIMITED (JP) 2005-07-19 US disclosed
US-20040179066-A1 Ink composition and inkjet recording method and apparatus using the ink composition RICOH COMPANY LIMITED (JP) 2004-09-16 US disclosed
US-6730149-B2 COLORANT AND A SOLVENT; ZETA POTENTIAL BETWEEN THE COLORANT AND GLASS, SILICON, SILICON OXIDE, TITANIUM OXIDE, CHROMIUM OXIDE, TITANIUM NITRIDE, SILICON NITRIDE, ZIRCONIUM AND POLYIMIDE IS FROM 0--50 MV AT A PH OF 6.5-11.5 RICOH COMPANY LIMITED (JP) 2004-05-04 US disclosed
US-20030010252-A1 Ink composition and inkjet recording method and apparatus using the ink composition RICOH COMPANY LIMITED (JP) 2003-01-16 US disclosed