SCHEMBL4606541

SCHEMBL4606541

C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCO.C=C(CC=C(C)C(=O)O)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1179097 0.96 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3075214 0.95 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL8636772 0.94 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7253549 0.94 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7598695 0.94 TSHR (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL1756491 0.93 ALDH1A1 (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10885382 0.91 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16753722 0.90 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11346613 0.90 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16753806 0.90 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036103-B2 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL AG & CO KGAA (DE) 2008-07-16 EP disclosed
US-6465104-B1 SOLVENT FREE, MOISTURE CURING, QUICK-SETTING GRAFT POLYMERS COMPRISING LOW MOLECULAR WEIGHT ESTERS, ALCOHOLS AND ISOCYANATES; HEAT AND SOLVENT RESISTANCE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-10-15 US disclosed
EP-1036103-B1 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL KGAA (DE) 2002-09-11 EP disclosed