SCHEMBL16627940

SCHEMBL16627940

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TRPA1 O75762 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL16627958 0.78 HTT (0.50) HTTTSHRTDP1ALDH1A1GAA
SCHEMBL18893713 0.78 HTT (0.50) HTTTSHRTDP1ALDH1A1GAA
SCHEMBL21192656 0.77 HTT (0.44) HTTTSHRTDP1ALDH1A1GAA
SCHEMBL3288993 0.77 HTT (0.40) HTTTDP1ALDH1A1
SCHEMBL21192704 0.76 HTT (0.48) HTTTSHRTDP1ALDH1A1GAA
SCHEMBL17041941 0.75
SCHEMBL21192670 0.74 HTT (0.41) HTTTSHRTDP1ALDH1A1GAA
SCHEMBL21192666 0.74 HTT (0.41) HTTTSHRTDP1ALDH1A1GAA
SCHEMBL3288998 0.72 HTT (0.40) HTTTSHR
SCHEMBL7090150 0.71 TSHR (0.38) TSHRTDP1ALDH1A1GAAKDM4E

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