SCHEMBL777633

SCHEMBL777633

Cc1cc(C2CCCCC2F)cc(C2CCCCC2F)c1C(=O)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 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
SCHEMBL776624 0.84 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL3883051 0.80
SCHEMBL777634 0.77 TAS1R3 (0.31) TAS1R3TAS1R1TAS1R2
SCHEMBL776625 0.69 NPC1 (0.35) TAS1R3TAS1R1TAS1R2
SCHEMBL3896281 0.68 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL3883053 0.64 SNCA (0.30)
SCHEMBL28106244 0.61 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2
SCHEMBL3896285 0.60 NPC1 (0.31)
SCHEMBL777003 0.60 NPC1 (0.36) TAS1R3TAS1R1TAS1R2
SCHEMBL28701742 0.60 TAS1R3 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed