SCHEMBL7199265

SCHEMBL7199265

Cc1ccccc1[PH3+].Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL30468922 1.00 ACHE (0.38) ACHETSHRHTTKDM4C
SCHEMBL29901578 0.86 TRPA1 (0.34) ACHETSHR
O-Xylene SCHEMBL30386408 0.83 TSHR (0.48) ACHETSHRHTTKDM4C
O-Xylene SCHEMBL30509215 0.83 TSHR (0.48) ACHETSHRHTTKDM4C
SCHEMBL28215053 0.82 ACHE (0.34) ACHETSHRHTTKDM4C
SCHEMBL30305775 0.78 ACHE (0.39) ACHETSHRHTTKDM4C
O-Tolylamine SCHEMBL578081 0.76 ACHE (0.38) ACHETSHRHTTKDM4C
SCHEMBL29628828 0.76 ACHE (0.38) ACHETSHRHTTKDM4C
SCHEMBL6609964 0.74 ACHE (0.37) ACHETSHRHTTKDM4C
SCHEMBL399417 0.74 ACHE (0.37) ACHETSHRHTTKDM4C

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
US-6605676-B1 Process for obtaining polyolefins with broad bimodal or multimodal molecular weight distributions REPSOL QUIMICA, S.A. (ES) 2003-08-12 US disclosed