Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7219133

Nc1nccc2scc(CN3CC[C@H](N)C3=O)c12.O=C(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.36
EIF2AK3 Q9NZJ5 2/20 0.35
EIF2AK1 Q9BQI3 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AURKB Q96GD4 3/20 0.34
ROCK2 O75116 2/20 0.34
MAP4K4 O95819 2/20 0.34
LCK P06239 2/20 0.34
FGFR1 P11362 2/20 0.34
FLT1 P17948 2/20 0.34
AXL P30530 2/20 0.34
FLT4 P35916 2/20 0.34
FLT3 P36888 2/20 0.34
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
IRAK1 P51617 2/20 0.34
CSNK1G2 P78368 2/20 0.34
MAP4K2 Q12851 2/20 0.34
ROCK1 Q13464 2/20 0.34

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 SCHEMBL7446703 1.00 KDR (0.36) KDREIF2AK3EIF2AK1HRH4HRH3
Trifluoroacetic Acid SCHEMBL7213548 0.91 HRH4 (0.34) HRH4HRH3F10DPP4DPP7
Trifluoroacetic Acid SCHEMBL7453206 0.91 HRH4 (0.34) HRH4HRH3F10DPP4DPP7
Trifluoroacetic Acid SCHEMBL7446696 0.89 KDR (0.35) KDREIF2AK3EIF2AK1HRH4HRH3
Trifluoroacetic Acid SCHEMBL7219132 0.89 KDR (0.35) KDREIF2AK3EIF2AK1HRH4HRH3
Trifluoroacetic Acid SCHEMBL7219407 0.89 KDR (0.35) KDREIF2AK3EIF2AK1HRH4HRH3
Trifluoroacetic Acid SCHEMBL7457544 0.85 F10 (0.35) HRH4HRH3F10DPP4DPP7
Trifluoroacetic Acid SCHEMBL7215793 0.85 F10 (0.35) HRH4HRH3F10DPP4DPP7
SCHEMBL7456514 0.80 F10 (0.38) F10F2PLGPLATPROC
SCHEMBL7213494 0.80 F10 (0.38) F10F2PLGPLATPROC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed