SCHEMBL8999846

SCHEMBL8999846

C=C(C)C(=O)OCCOC(=O)CC(C)=O.C=CC(=O)OCCCC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 4/20 0.43
ATM Q13315 1/20 0.42
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 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
SCHEMBL8561219 0.96 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8855874 0.96 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL7737199 0.92 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL31150912 0.92 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL7567268 0.90 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL313059 0.89 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL9319734 0.87 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL263473 0.86 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL28682532 0.86 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Methyl Ester SCHEMBL28097602 0.86 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567761-A BLEND OF ACETOACETYLATED POLYMER AND A POLYACRYLATE; GLOSS, HARDNESS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1996-10-22 US disclosed
WO-1995016749-A1 AQUEOUS TWO-PART ISOCYANATE-FREE CURABLE, POLYURETHANE RESIN SYSTEMS GUERTIN BROS. COATINGS AND SEALANTS LTD. (CA) 1995-06-22 WO disclosed