SCHEMBL1768428

SCHEMBL1768428

FC1(F)Oc2ccc(Br)c(I)c2O1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
GPR3 P46089 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
SCHEMBL1768463 0.85
SCHEMBL16042659 0.78 ADORA2A (0.33) ADORA2AGPR3
SCHEMBL16043867 0.78 ADORA2A (0.33) ADORA2A
SCHEMBL3055306 0.77 ADORA2A (0.37) ADORA2A
SCHEMBL16798562 0.77 ADORA2A (0.38) ADORA2A
SCHEMBL16042690 0.77 ADORA2A (0.32) ADORA2A
SCHEMBL16127210 0.77 ADORA2A (0.37) ADORA2AGPR3
SCHEMBL1768607 0.74 GPR3 (0.34) GPR3
SCHEMBL16045634 0.73 NQO2 (0.33) ADORA2A
SCHEMBL978248 0.72 MPO (0.33) ADORA2AGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed