SCHEMBL27733007

SCHEMBL27733007

COC(C)N.O=C(O)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
SLC7A5 Q01650 1/20 0.31
ACLY P53396 2/20 0.30

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
SCHEMBL27732602 0.88 THRB (0.50) THRBSLC1A3SLC1A2SLC1A1ACLY
SCHEMBL1835205 0.84 THRB (0.42) THRBSLC7A5ACLY
Trifluoroacetic Acid SCHEMBL26100062 0.84 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL1833878 0.79 THRB (0.35) THRB
Bicarbonate SCHEMBL27732642 0.75
Bicarbonate SCHEMBL27732671 0.75 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL63977 0.75 THRB (0.58) THRBACLY
Oxalic Acid SCHEMBL27732661 0.73 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1SLC7A5
Acetic Acid SCHEMBL27732782 0.73
Oxalic Acid SCHEMBL27732662 0.73 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1SLC7A5

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
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed