SCHEMBL28801401

SCHEMBL28801401

C/C=C/C(=O)c1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AHR P35869 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
SCHEMBL10178037 0.81
SCHEMBL30818092 0.78 AHR (0.34) AHR
SCHEMBL28801400 0.76
SCHEMBL1970186 0.75 AHR (0.35) AHR
SCHEMBL31099577 0.74 CDK8 (0.36) AHR
SCHEMBL1973298 0.74 AHR (0.34) AHR
SCHEMBL4782317 0.63 NPC1 (0.46)
SCHEMBL2198117 0.63 HSP90AA1 (0.38)
SCHEMBL2826172 0.62
SCHEMBL2161282 0.60 NPSR1 (0.33)

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
CN-1926131-B Heterocycle grafted monomers and related polymers and hybrid inorganic-organic polymer membranes TOYOTA TECHNICAL CT USA INC 2012-10-31 CN disclosed