SCHEMBL7974868

SCHEMBL7974868

C=C(C)C(=O)OC.C=C(C=C(C)C(=O)O)C(=O)OCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
EPHX1 P07099 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FAAH O00519 2/20 0.38
NAAA Q02083 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
ACHE P22303 6/20 0.35

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
SCHEMBL459709 0.95 TSHR (0.50) TSHRALDH1A1HCAR2EPHX1POLB
SCHEMBL9683138 0.93 TSHR (0.53) TSHRALDH1A1HCAR2EPHX1POLB
SCHEMBL7730836 0.92 TSHR (0.67) TSHRALDH1A1HCAR2EPHX1POLB
Methacrylic Acid SCHEMBL14661240 0.92 TSHR (0.61) TSHRALDH1A1HCAR2EPHX1POLB
SCHEMBL6274865 0.92 TSHR (0.60) TSHRALDH1A1HCAR2EPHX1POLB
SCHEMBL14660709 0.92 TSHR (0.60) TSHRALDH1A1HCAR2EPHX1POLB
SCHEMBL17063567 0.92 TSHR (0.60) TSHRALDH1A1HCAR2EPHX1POLB
SCHEMBL28078386 0.92 TSHR (0.60) TSHRALDH1A1HCAR2EPHX1POLB
Acrylic Acid SCHEMBL11794147 0.90 TSHR (0.46) TSHRALDH1A1HCAR2POLBAPEX1
SCHEMBL10531571 0.86 ALDH1A1 (0.42) TSHRALDH1A1POLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9329516-B2 Deinkable liquid toner HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-05-03 US claimed
US-20140147172-A1 DEINKABLE LIQUID TONER HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2014-05-29 US claimed
US-6184268-B1 MIXING SOLVENT, COLORANT AND LATEX, WHICH IS GENERATED FROM POLYMERIZATION OF MIXTURE OF ANIONIC SURFACTANT, NONIONIC SURFACTANT, AND MIXTURE OF OLEFINIC MONOMERS, FOLLOWED BY ADDITION OF ORGANIC SOLVENT TO PRODUCE INK JET INK XEROX CORPORATION 2001-02-06 US claimed
US-9329516-B2 Deinkable liquid toner HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2016-05-03 US disclosed
US-20140147172-A1 DEINKABLE LIQUID TONER HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2014-05-29 US disclosed
US-6184268-B1 MIXING SOLVENT, COLORANT AND LATEX, WHICH IS GENERATED FROM POLYMERIZATION OF MIXTURE OF ANIONIC SURFACTANT, NONIONIC SURFACTANT, AND MIXTURE OF OLEFINIC MONOMERS, FOLLOWED BY ADDITION OF ORGANIC SOLVENT TO PRODUCE INK JET INK XEROX CORPORATION 2001-02-06 US disclosed