SCHEMBL440029

SCHEMBL440029

C[Si](C)(C)C#Cc1ccc2c(c1)C1(c3cc(C#C[Si](C)(C)C)ccc3-2)c2cc(C#C[Si](C)(C)C)ccc2-c2ccc(C#C[Si](C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRA6 Q16445 2/20 0.31
GABRA4 P48169 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
SCHEMBL14822802 0.93 CYP1A1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6006481 0.92 PDK2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6005451 0.92 PDK2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3142132 0.84 MAPT (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15450286 0.80 PDK2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3150471 0.80 ESR1 (0.35)
SCHEMBL6849836 0.77 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27027136 0.75 MMP2 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6103332 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306384 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410185-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2013-04-02 US disclosed
US-8410185-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2013-04-02 US disclosed
US-20120065289-A1 POROUS POLYMERIC MATERIALS FOR HYDROGEN STORAGE UCHICAGO ARGONNE LLC 2012-03-15 US disclosed
US-20120065289-A1 POROUS POLYMERIC MATERIALS FOR HYDROGEN STORAGE UCHICAGO ARGONNE LLC 2012-03-15 US disclosed
US-8076382-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2011-12-13 US disclosed
US-8076382-B2 Porous polymeric materials for hydrogen storage UCHICAGO ARGONNE, LLC (US) 2011-12-13 US disclosed
US-20090023828-A1 Porous Polymeric materials for Hydrogen storage UCHICAGO ARGONNE LLC 2009-01-22 US disclosed
US-20090023828-A1 Porous Polymeric materials for Hydrogen storage UCHICAGO ARGONNE LLC 2009-01-22 US disclosed