SCHEMBL8773850

SCHEMBL8773850

F[B-](F)(F)F.F[n+]1c(Cl)c(Cl)cc(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL8773848 0.79
SCHEMBL8114703 0.71
SCHEMBL8773824 0.66 TSHR (0.30)
SCHEMBL8773864 0.62
SCHEMBL63583 0.61
SCHEMBL562806 0.61 TSHR (0.37)
SCHEMBL14459752 0.61 CYP3A4 (0.37) CYP3A4MAPK1AHR
SCHEMBL348913 0.58 AHR (0.67) CYP3A4MAPK1AHR
1,2-Dichlorobenzene SCHEMBL21634789 0.57 TSHR (0.71)
1,2-Dichlorobenzene SCHEMBL31146806 0.57 TSHR (0.71)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470669-B1 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1997-11-12 EP disclosed
US-5164502-A Fluorinating agents DOWELANCO (US) 1992-11-17 US disclosed
US-5116982-A Fluorination DOWELANCO (US) 1992-05-26 US disclosed
EP-0470669-A2 Preparation of fluorophenols, fluorohalophenols, N-acylfluoroanilines, and N-acylfluorohaloanilines DOWELANCO (US) 1992-02-12 EP disclosed