Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6557113

CSCC[C@H](N)C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.40
NOS2 P35228 6/20 0.36
NOS1 P29475 4/20 0.36
NOS3 P29474 3/20 0.36
BHMT Q93088 6/20 0.35
BHMT2 Q9H2M3 1/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CYP2C19 P33261 1/20 0.33
THPO P40225 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 SCHEMBL6557109 1.00 RNPEP (0.40) RNPEPNOS2NOS1NOS3BHMT
Methionine SCHEMBL8589231 0.87 BHMT (0.47) RNPEPNOS2NOS1NOS3BHMT
Racemethionine SCHEMBL8589228 0.87 BHMT (0.47) RNPEPNOS2NOS1NOS3BHMT
Methionine SCHEMBL8763034 0.87 BHMT (0.47) RNPEPNOS2NOS1NOS3BHMT
SCHEMBL1416384 0.87
SCHEMBL3316021 0.87
SCHEMBL358438 0.87
SCHEMBL9223289 0.87 RNPEP (0.45) RNPEPNOS2NOS1NOS3BHMT
Acetic Acid SCHEMBL10586335 0.85 RNPEP (0.45) RNPEPNOS2NOS1NOS3BHMT
Acetic Acid SCHEMBL10586329 0.85 RNPEP (0.45) RNPEPNOS2NOS1NOS3BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797447-B1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES UNIV ARIZONA (US) 2004-03-03 EP disclosed
EP-0797447-A4 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES UNIV ARIZONA (US) 1999-09-29 EP disclosed
EP-0797447-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1997-10-01 EP disclosed
US-5663149-A ANTICARCINOGENIC AGENTS RELATED TO DOLASTATIN ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-09-02 US disclosed
WO-1996018408-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1996-06-20 WO disclosed