Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19209820

O=C(O)C(F)(F)F.O=C(O)CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.48

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.48
PRCP P42785 3/20 0.48
TERT O14746 1/20 0.43
HTR2B P41595 3/20 0.42
KDM4E B2RXH2 1/20 0.40
CTSC P53634 1/20 0.40
TLR2 O60603 2/20 0.38
HTR2A P28223 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
GID4 Q8IVV7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL620066 0.91 PRCP (0.55) HTR2CPRCPTERTHTR2BKDM4E
SCHEMBL620067 0.91 PRCP (0.55) HTR2CPRCPTERTHTR2BKDM4E
SCHEMBL8789170 0.91 PRCP (0.55) HTR2CPRCPTERTHTR2BKDM4E
Trifluoroacetic Acid SCHEMBL5231460 0.87 HTR2C (0.48) HTR2CPRCPTERTHTR2BKDM4E
Trifluoroacetic Acid SCHEMBL3332141 0.86 PRCP (0.56) HTR2CPRCPHTR2BKDM4ECTSC
SCHEMBL6372058 0.85 PRCP (0.50) HTR2CPRCPTERTHTR2BKDM4E
SCHEMBL10788824 0.84 TERT (0.51) HTR2CPRCPTERTHTR2BKDM4E
Glycine SCHEMBL2933526 0.84 PRCP (0.50) HTR2CPRCPTERTHTR2BKDM4E
SCHEMBL10788841 0.84 TERT (0.51) HTR2CPRCPTERTHTR2BKDM4E
SCHEMBL31142126 0.84 TERT (0.51) HTR2CPRCPTERTHTR2BKDM4E

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
WO-2017133701-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2017-08-10 WO disclosed