SCHEMBL9561813

SCHEMBL9561813

NC(=O)C(C(N)=O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
OR51E2 Q9H255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ACHE P22303 1/20 0.31

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
Heptafluorobutyramide SCHEMBL809135 0.73 THRB (0.43) THRBF2PRSS1PRSS2PRSS3
Trifluoroacetamide SCHEMBL142 0.72
Trifluoroacetamide SCHEMBL27678123 0.72 LMNA (0.42) ALDH1A1LMNAOR51E2TDP1F2
SCHEMBL27096224 0.71 THRB (0.41) THRBALDH1A1LMNAOR51E2TDP1
SCHEMBL808848 0.71 THRB (0.35) THRBALDH1A1LMNAOR51E2TDP1
SCHEMBL15803915 0.71 ALDH1A1 (0.33) ALDH1A1LMNAOR51E2TDP1ACHE
SCHEMBL5704734 0.71 THRB (0.35) THRBALDH1A1LMNAOR51E2TDP1
SCHEMBL6740067 0.71 THRB (0.55) THRBLMNAF2PRSS1PRSS2
Heptafluorobutyramide SCHEMBL4827051 0.71 THRB (0.42) THRBF2PRSS1PRSS2PRSS3
Trifluoroacetamide SCHEMBL5638451 0.69

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-0311028-B1 A PROCESS FOR BIS (4-AMINOPHENYL) HEXAFLUOROPROPANE HOECHST CELANESE CORPORATION (US) 1993-03-17 EP disclosed
US-5011997-A Process for bis(4-aminophenyl)hexafluoropropane HOECHST CELANESE CORP. (US) 1991-04-30 US disclosed
EP-0311028-A2 A process for bis (4-aminophenyl) hexafluoropropane HOECHST CELANESE CORPORATION (US) 1989-04-12 EP disclosed