SCHEMBL9801129

SCHEMBL9801129

Cc1c(O)c(F)c(F)c(C)c1F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
TAS1R2 Q8TE23 3/20 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
SCHEMBL265076 0.90
SCHEMBL23848680 0.90 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL172036 0.87 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL14546672 0.84 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL5589298 0.83 TAS1R3 (0.30) TAS1R3TAS1R1TAS1R2
SCHEMBL5586768 0.81
SCHEMBL7000057 0.81 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL23791083 0.81
SCHEMBL11054964 0.80 NUAK1 (0.30)
SCHEMBL9502683 0.79 TAS1R3 (0.30) TAS1R3TAS1R1TAS1R2

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-4994426-A Catalyst and process for polymerization of norbornene derivatives SHELL OIL COMPANY (US) 1991-02-19 US claimed