Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL27736715

O=C(O)C(F)(F)F.O=C(O)c1ccc2[nH]ncc2c1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.56
WNT3A P56704 7/20 0.56
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
JAK2 O60674 1/20 0.48
MAOB P27338 4/20 0.47
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
PRKG1 Q13976 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
SGK2 Q9HBY8 1/20 0.46
STK17A Q9UEE5 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
LDHA P00338 1/20 0.44

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
SCHEMBL261380 0.91 CTNNB1 (0.65) CTNNB1WNT3ANPC1RAB9AJAK2
SCHEMBL30270547 0.91 CTNNB1 (0.65) CTNNB1WNT3ANPC1RAB9AJAK2
Hydrochloric Acid SCHEMBL1665151 0.89 CTNNB1 (0.63) CTNNB1WNT3ANPC1RAB9AJAK2
Trifluoroacetic Acid SCHEMBL18108738 0.88 AR (0.54) CTNNB1WNT3ANPC1RAB9AJAK2
Trifluoroacetic Acid SCHEMBL18108734 0.88 AR (0.54) CTNNB1WNT3ANPC1RAB9AJAK2
Trifluoroacetic Acid SCHEMBL2555084 0.82 ROCK2 (0.70) CTNNB1WNT3ANPC1RAB9AJAK2
Trifluoroacetic Acid SCHEMBL5404493 0.79 SMYD3 (0.58) ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL5404490 0.79 SMYD3 (0.58) ROCK2ROCK1
SCHEMBL23063810 0.78 GSK3B (0.68) CTNNB1WNT3ANPC1RAB9AJAK2
SCHEMBL31253099 0.78 GSK3B (0.68) CTNNB1WNT3ANPC1RAB9AJAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN claimed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN claimed
CN-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN disclosed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN disclosed