SCHEMBL8501558

SCHEMBL8501558

C=C(C)C(=O)OCC(C)C.C=C(CC)C(=O)OCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
NAAA Q02083 1/20 0.42
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
PLA2G2C Q5R387 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CES2 O00748 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPT P10636 1/20 0.35
FAAH O00519 1/20 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
SCHEMBL5012216 0.93 TSHR (0.77) TSHRNAAATHRBPOLBAPEX1
SCHEMBL10524306 0.93 TSHR (0.77) TSHRNAAATHRBPOLBAPEX1
SCHEMBL8032342 0.93 TSHR (0.77) TSHRNAAATHRBPOLBAPEX1
Acrylic Acid SCHEMBL3090498 0.93 TSHR (0.57) TSHRNAAATHRBPOLBAPEX1
SCHEMBL28286340 0.91 TSHR (0.75) TSHRNAAATHRBPOLBAPEX1
SCHEMBL28173403 0.91 TSHR (0.74) TSHRNAAATHRBPOLBAPEX1
SCHEMBL10594310 0.90 TSHR (0.83) TSHRNAAATHRBPOLBAPEX1
SCHEMBL6563295 0.90 TSHR (0.83) TSHRNAAATHRBPOLBAPEX1
Methacrylic Acid SCHEMBL5946722 0.89 TSHR (0.71) TSHRNAAATHRBPOLBAPEX1
SCHEMBL9581787 0.89 TSHR (0.52) TSHRNAAATHRBPOLBAPEX1

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
EP-0902800-A1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 1999-03-24 EP claimed
WO-1997045468-A1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 1997-12-04 WO claimed