Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3116407

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCC1CCCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.38
KCNH2 Q12809 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
SSTR4 P31391 4/20 0.37
SSTR1 P30872 2/20 0.37
RBP4 P02753 1/20 0.37
TTR P02766 1/20 0.37
SYK P43405 3/20 0.35
AURKB Q96GD4 3/20 0.35
CHRM3 P20309 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
CHRNB4 P30926 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL906053 0.92 SYK (0.39) IRAK4KCNH2HTR2AHTR2CSYK
Trifluoroacetic Acid SCHEMBL3114765 0.88 CHRNA3 (0.46) KCNH2HTR2AHTR2CSSTR4SSTR1
Trifluoroacetic Acid SCHEMBL3121822 0.85 CHRNA3 (0.41) KCNH2HTR2AHTR2CSSTR4SSTR1
Trifluoroacetic Acid SCHEMBL6198900 0.85 HTR2C (0.39) KCNH2HTR2AHTR2CSSTR4SSTR1
Trifluoroacetic Acid SCHEMBL3124283 0.84 HTR2C (0.40) KCNH2HTR2AHTR2CSSTR4SSTR1
Succinic Acid SCHEMBL15022004 0.80 HTR2C (0.39) KCNH2HTR2AHTR2CSSTR4SSTR1
SCHEMBL7055867 0.79 CHRNB4 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNB4
SCHEMBL906007 0.79 CHRNB4 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNB4
SCHEMBL237951 0.79 HTR2C (0.42) KCNH2HTR2AHTR2CSSTR4
SCHEMBL2639684 0.79 HTR2C (0.42) KCNH2HTR2AHTR2CSSTR4

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
EP-1513831-B1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB PUBL (SE) 2010-01-06 EP claimed