Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5554479

CC[N+]1(COP(=O)(O)O)CCCC1CNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.O=C([O-])C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 5/20 0.39
BCL6 P41182 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AXL P30530 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
AGER Q15109 1/20 0.33
EGFR P00533 1/20 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
Trifluoroacetic Acid SCHEMBL5553449 0.95 GALR1 (0.39) GALR1BCL6MAPTMEN1HTT
SCHEMBL5554504 0.95 GALR1 (0.42) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5554560 0.94 GALR1 (0.42) GALR1BCL6MAPTMEN1HTT
SCHEMBL5553377 0.87 GALR1 (0.40) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5549891 0.86 GALR1 (0.40) GALR1BCL6MAPTMEN1HTT
SCHEMBL5554481 0.84 GALR1 (0.39) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5555558 0.83 GALR1 (0.39) GALR1BCL6MAPTMEN1HTT
SCHEMBL4838523 0.80 GALR1 (0.48) GALR1BCL6MAPTMEN1HTT
SCHEMBL5549426 0.80 GALR1 (0.45) GALR1BCL6MAPTMEN1HTT
SCHEMBL14268382 0.79 GALR1 (0.47) GALR1BCL6MAPTMEN1HTT

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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed