SCHEMBL4636360

SCHEMBL4636360

C=C(C(=O)O)c1c(F)c(F)c(F)c(F)c1C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL757647 0.77 CES2 (0.37) TSHRSMN1; SMN2
SCHEMBL4617380 0.75
SCHEMBL8846928 0.68 THRB (0.34) TSHRSMN1; SMN2
SCHEMBL2771873 0.67
SCHEMBL6435692 0.67 TSHR (0.35) TSHRSMN1; SMN2
SCHEMBL7652146 0.67 THRB (0.38)
SCHEMBL7652406 0.67 THRB (0.38)
SCHEMBL7650483 0.67 THRB (0.38)
SCHEMBL4636359 0.64 PKM (0.34) SMN1; SMN2
SCHEMBL14322621 0.64 CYP1A2 (0.32)

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-1940797-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-07-09 EP disclosed
WO-2007024612-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-03-01 WO disclosed