SCHEMBL8773840

SCHEMBL8773840

F[B-](F)(F)F.F[n+]1c(Cl)cc(C(Cl)(Cl)Cl)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL8773822 0.75 TSHR (0.38) TSHR
SCHEMBL8773857 0.68 TSHR (0.34) TSHR
SCHEMBL8773804 0.67 TSHR (0.38) TSHR
SCHEMBL63583 0.65
SCHEMBL1538847 0.64 TSHR (0.47) TSHR
SCHEMBL8773839 0.64 ACHE (0.33)
SCHEMBL7930028 0.61 TSHR (0.44) TSHR
SCHEMBL7096749 0.61 TSHR (0.53) TSHR
SCHEMBL8773850 0.60 CYP3A4 (0.32)
SCHEMBL11600999 0.59 CES2 (0.46) TSHR

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 3 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-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