SCHEMBL679176

SCHEMBL679176

CC1(C)CC(NC(=O)OCC2CO2)CC(C)(CNC(=O)OCC2CO2)C1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR2 O43614 1/20 0.30

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
SCHEMBL13573771 0.91 TSHR (0.57) TSHRALDH1A1
SCHEMBL18419017 0.89 TSHR (0.57) TSHRALDH1A1TDP1
SCHEMBL21101372 0.89 TSHR (0.57) TSHRALDH1A1TDP1
SCHEMBL13573753 0.88 TSHR (0.54) TSHRALDH1A1
SCHEMBL19344489 0.85 TSHR (0.58) TSHRTDP1
SCHEMBL14515454 0.85 TSHR (0.55) TSHR
SCHEMBL12367256 0.84 TSHR (0.52) TSHRTDP1
SCHEMBL982002 0.84 TSHR (0.74) TSHRALDH1A1CYP3A4TDP1
SCHEMBL16846588 0.83 TSHR (0.49) TSHRALDH1A1TP53CYP3A4
SCHEMBL12367257 0.83 TSHR (0.50) TSHR

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-8852458-B2 Glycidyl carbamate coatings having improved corrosion resistance NDSU RESEARCH FOUNDATION (US) 2014-10-07 US disclosed
US-8852458-B2 Glycidyl carbamate coatings having improved corrosion resistance NDSU RESEARCH FOUNDATION (US) 2014-10-07 US disclosed
US-20110049429-A1 GLYCIDYL CARBAMATE COATINGS HAVING IMPROVED CORROSION RESISTANCE NDSU RESEARCH FOUNDATION (US) 2011-03-03 US disclosed
US-20110049429-A1 GLYCIDYL CARBAMATE COATINGS HAVING IMPROVED CORROSION RESISTANCE NDSU RESEARCH FOUNDATION (US) 2011-03-03 US disclosed
WO-2009155291-A1 CURABLE COMPOSITIONS CONTAINING URETHANE LINKAGES FOR REWORKABLE ADHESIVES HENKEL CORPORATION (US) 2009-12-23 WO disclosed
WO-2009076609-A2 GLYCIDYL CARBAMATE COATINGS HAVING IMPROVED CORROSION RESISTANCE NDSU RESEARCH FOUNDATION (US) 2009-06-18 WO disclosed