SCHEMBL753612

SCHEMBL753612

C#CCO[C@H]1CO[C@H]2[C@H]1OC[C@H]2OCC#C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.34
BCHE P06276 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
SCHEMBL17491806 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17404773 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491805 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491802 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491804 1.00 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491795 0.89 THRB (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491803 0.89 THRB (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491796 0.89 THRB (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491798 0.89 THRB (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17491801 0.89 THRB (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2430027-B1 TRIAZOLE/TETRAZOLE POLYMERS RESULTING FROM THE CYCLOADDITION OF FUNCTIONALIZED MONOMERS DERIVED FROM DIANHYDROHEXITOL, INTERMEDIATE COMPOUNDS, METHODS OF PREPARING SAME AND APPLICATIONS THEREOF ROQUETTE FRERES (FR) 2016-02-10 EP disclosed
EP-2430027-A1 TRIAZOLE/TETRAZOLE POLYMERS RESULTING FROM THE CYCLOADDITION OF FUNCTIONALIZED MONOMERS DERIVED FROM DIANHYDROHEXITOL, INTERMEDIATE COMPOUNDS, METHODS OF PREPARING SAME AND APPLICATIONS THEREOF Roquette Freres (FR) 2012-03-21 EP disclosed
WO-2010130840-A1 TRIAZOLE/TETRAZOLE POLYMERS RESULTING FROM THE CYCLOADDITION OF FUNCTIONALIZED MONOMERS DERIVED FROM DIANHYDROHEXITOL, INTERMEDIATE COMPOUNDS, METHODS OF PREPARING SAME AND APPLICATIONS THEREOF ROQUETTE FRERES (FR) 2010-11-18 WO disclosed