SCHEMBL9050809

SCHEMBL9050809

CCOC(C)(C(Oc1nc(OC)cc(OC)n1)C(=O)O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 20/20 0.63
EDNRA P25101 20/20 0.63

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
SCHEMBL9051518 0.89 EDNRB (0.61) EDNRBEDNRA
SCHEMBL8534495 0.85 EDNRB (0.68) EDNRBEDNRA
SCHEMBL9459188 0.82 EDNRB (0.63) EDNRBEDNRA
SCHEMBL9367683 0.79 EDNRB (0.66) EDNRBEDNRA
SCHEMBL9590496 0.78 EDNRB (0.56) EDNRBEDNRA
SCHEMBL9372708 0.77 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7071036 0.77 EDNRB (1.00) EDNRBEDNRA
SCHEMBL9054345 0.77 EDNRB (0.42) EDNRBEDNRA
SCHEMBL9373008 0.77 EDNRB (0.60) EDNRBEDNRA
SCHEMBL9051708 0.77 EDNRB (0.75) 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