SCHEMBL9052287

SCHEMBL9052287

COc1cc(OC)nc(OC(C(=O)OC(C)(C)C)C(C)(O)C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.49
EDNRA P25101 18/20 0.49

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
SCHEMBL9051649 0.83 EDNRB (0.61) EDNRBEDNRA
SCHEMBL9459403 0.77 EDNRB (0.53) EDNRBEDNRA
SCHEMBL9051789 0.76 EDNRB (0.52) EDNRBEDNRA
SCHEMBL9052337 0.76 ALDH1A1 (0.33) EDNRBEDNRA
SCHEMBL9459188 0.75 EDNRB (0.63) EDNRBEDNRA
SCHEMBL9051518 0.75 EDNRB (0.61) EDNRBEDNRA
SCHEMBL9059035 0.74 EDNRB (0.50) EDNRBEDNRA
SCHEMBL7811183 0.74 EDNRB (0.55) EDNRBEDNRA
SCHEMBL9367683 0.72 EDNRB (0.66) EDNRBEDNRA
SCHEMBL9083868 0.72 EDNRB (0.39) EDNRBEDNRA

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-1996000219-A1 PYRIMIDINYL- AND TRIAZINYL-OXY AND THIO-3-HALOALKYL-PROPIONIC ACID DERIVATIVES AS HERBICIDES CIBA-GEIGY AG (CH) 1996-01-04 WO disclosed