SCHEMBL5999952

SCHEMBL5999952

CCCC[Si](C)(C)O[C@@H](CN[C@H](C)Cc1cccc(CC(=O)O)c1)c1ccc(O)c(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.56

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
SCHEMBL4012853 0.86 ADRB2 (0.56) ADRB2
SCHEMBL4012850 0.86 ADRB2 (0.56) ADRB2
SCHEMBL6000239 0.82 ADRB2 (0.50) ADRB2
SCHEMBL13939697 0.80 ADRB2 (0.60) ADRB2
SCHEMBL14422860 0.80 ADRB2 (0.80) ADRB2
SCHEMBL4258495 0.79 ADRB2 (0.71) ADRB2
SCHEMBL4258497 0.79 ADRB2 (0.71) ADRB2
SCHEMBL13589426 0.78 ADRB2 (0.53) ADRB2
SCHEMBL4253565 0.78 ADRB2 (0.46) ADRB2
SCHEMBL14422856 0.78 ADRB2 (0.46) ADRB2

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-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP disclosed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO disclosed