SCHEMBL22175339

SCHEMBL22175339

Clc1cccc2c1Oc1ccc3c4c1B2c1cccc2c1N4c1c(ccc4c1B2c1ccccc1O4)O3

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.44

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
SCHEMBL22159679 0.86 AHR (0.55) AHR
SCHEMBL30542924 0.86 AHR (0.55) AHR
SCHEMBL22847568 0.80
SCHEMBL22040158 0.77 AHR (0.31) AHR
SCHEMBL22159673 0.75 AHR (0.45) AHR
SCHEMBL16890485 0.74 P2RX4 (0.32)
SCHEMBL25745554 0.74
SCHEMBL26875067 0.73 AHR (0.38) AHR
SCHEMBL26311121 0.73 P2RX4 (0.31)
SCHEMBL22159664 0.72 AHR (0.41) AHR

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-2020135790-A1 BORON-CONTAINING COMPOUND AND APPLICATION THEREOF TO ORGANIC LIGHT-EMITTING DEVICE 江苏三月光电科技有限公司 2020-07-02 WO disclosed