SCHEMBL5606308

SCHEMBL5606308

Bc1c(Br)ccc(CC)c1Br

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL10712256 0.78 GABRA1 (0.56) GABRA1GABRB2
SCHEMBL12658939 0.77 GABRA1 (0.68) GABRA1GABRB2
SCHEMBL4889308 0.71 GABRA1 (0.48) GABRA1GABRB2
SCHEMBL10817933 0.70 GABRA1 (0.46) GABRA1GABRB2
SCHEMBL62557 0.67 GABRA1 (1.00) GABRA1GABRB2MAPT
SCHEMBL2403346 0.67 GABRA1 (0.76) GABRA1GABRB2
SCHEMBL8090788 0.67 GABRA1 (0.42) GABRA1GABRB2
SCHEMBL23113964 0.67 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL17916374 0.65 GABRA1 (0.52) GABRA1GABRB2MAPT
Phosphine SCHEMBL9717357 0.65 GABRA1 (0.41) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817318-A1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS Nippon Shokubai Co.,Ltd. (JP) 2007-08-15 EP disclosed
WO-2006080538-A1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-03 WO disclosed