SCHEMBL16627973

SCHEMBL16627973

CCOCC/N=C(\C)CC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.37
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16627977 0.79 HTT (0.67) HTTALDH1A1TSHRNOS3NOS1
SCHEMBL3389582 0.78 HTT (1.00) HTTALDH1A1MGAMGAASI
SCHEMBL351512 0.78 HTT (1.00) HTTALDH1A1MGAMGAASI
SCHEMBL348034 0.78 HTT (1.00) HTTALDH1A1MGAMGAASI
SCHEMBL348035 0.78 HTT (1.00) HTTALDH1A1MGAMGAASI
SCHEMBL346893 0.76 HTT (0.76) HTTALDH1A1MGAMGAASI
SCHEMBL346894 0.76 HTT (0.76) HTTALDH1A1MGAMGAASI
SCHEMBL16627957 0.76 HTT (0.76) HTTALDH1A1MGAMGAASI
SCHEMBL7746127 0.75 HTT (0.94) HTTALDH1A1MGAMGAASI
SCHEMBL18949017 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469799-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-10-18 US disclosed
US-9469799-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-10-18 US disclosed
US-20150337190-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2015-11-26 US disclosed
US-20150337190-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2015-11-26 US disclosed
US-9139699-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-09-22 US disclosed
US-9139699-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-09-22 US disclosed
WO-2015050583-A1 METAL CONTAINING CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2015-04-09 WO disclosed