SCHEMBL6746745

SCHEMBL6746745

C=CC(=O)OCC(CC)CCCC.C=COC(C)=O.CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 2/20 0.42
RECQL P46063 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APP P05067 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
Ethylene SCHEMBL9340940 0.99 TSHR (0.64) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL6133965 0.93 TSHR (0.72) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL7578944 0.92 TSHR (0.78) TSHRHPGDHCAR2TDP1CYP3A4
Acetic Acid SCHEMBL6744109 0.91 TSHR (0.72) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL560438 0.91 TSHR (0.81) TSHRHPGDTDP1CYP3A4ALDH1A1
Acrylic Acid SCHEMBL16151343 0.90 TSHR (0.67) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL8640150 0.89 TSHR (0.83) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL3401565 0.89 TSHR (0.83) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL7958163 0.89 TSHR (0.83) TSHRHPGDHCAR2TDP1CYP3A4
SCHEMBL7627062 0.89 TSHR (0.83) TSHRHPGDHCAR2TDP1CYP3A4

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-6689460-B2 CARRIER SHEET WITH A PRESSURE-SENSITIVE ADHESIVE THEREON; AND AN AQUEOUS DISPERSION PRIMER TO PROMOTE ADHESION BETWEEN A CONSTRUCTION SURFACE AND THE MEMBRANE COMPOSED OF AN INTERPOLYMER OF A VINYL ACETATE, A MALEATE AND/OR AN ACRYLATE W. R. GRACE & CO.-CONN. 2004-02-10 US claimed
US-20030003314-A1 Primer/membrane barrier system VERIFI LLC 2003-01-02 US claimed
US-6689460-B2 CARRIER SHEET WITH A PRESSURE-SENSITIVE ADHESIVE THEREON; AND AN AQUEOUS DISPERSION PRIMER TO PROMOTE ADHESION BETWEEN A CONSTRUCTION SURFACE AND THE MEMBRANE COMPOSED OF AN INTERPOLYMER OF A VINYL ACETATE, A MALEATE AND/OR AN ACRYLATE W. R. GRACE & CO.-CONN. 2004-02-10 US disclosed
US-20030003314-A1 Primer/membrane barrier system VERIFI LLC 2003-01-02 US disclosed