Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5553261

NCC(N)C(=O)OCC1c2ccccc2-c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL1436990 0.91 KMT2A (0.56) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL2174098 0.89 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
Bromide SCHEMBL15671138 0.89 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
Trifluoroacetic Acid SCHEMBL31247371 0.85 KMT2A (0.42) KMT2AFABP5FABP7DPP8DPP7
Trifluoroacetic Acid SCHEMBL4363454 0.81 MDM4 (0.55) KMT2AMDM4TP53CASP3MDM2
SCHEMBL1901193 0.80 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
SCHEMBL30983194 0.80 CASP3 (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL7123965 0.80 CASP3 (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL9188706 0.80 CASP3 (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL8453691 0.79 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310510-B1 Topologically segregated, encoded solid phase libraries AVENTIS PHARMA INC (US) 2007-07-11 EP disclosed
EP-1310510-A2 Topologically segregated, encoded solid phase libraries SELECTIDE CORPORATION (US) 2003-05-14 EP disclosed
EP-0705279-B1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 2003-02-19 EP disclosed
US-6090912-A MULTIPLICITY OF SEPARATE SOLID SUPPORTS WITH SURFACE HAVING SUCEPTIBLE LINKER TO SINGLE SPECIES OF TEST COMPOUND AND WITH INTERIOR HAVING ATTACHED NON-CLEAVABLE CODING MOLECULE; FOR SCREENING LIGANDS OR ACCEPTORS SELECTIDE CORPORATION (US) 2000-07-18 US disclosed
EP-0705279-A4 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 1999-03-24 EP disclosed
US-5840485-A SYNTHETIC TEST COMPOUNDS ATTACHED TO SEPARATE PHASE SYNTHESIS SUPPORTS THAT ALSO CONTAIN CODING MOLECULES THAT ENCODE THE STRUCTURE OF THE SYNTHETIC TEST COMPOUND SELECTIDE CORPORATION (US) 1998-11-24 US disclosed
EP-0705279-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1996-04-10 EP disclosed
WO-1994028028-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1994-12-08 WO disclosed