Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8526715

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.48
▸ SIRT5 Q9NXA8 3/20 0.46
▸ PADI4 Q9UM07 6/20 0.43
▸ PADI1 Q9ULC6 5/20 0.43
▸ PADI3 Q9ULW8 4/20 0.43
▸ PADI2 Q9Y2J8 3/20 0.43
▸ PTPN2 P17706 2/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ NPY1R P25929 3/20 0.39
▸ NPY2R P49146 3/20 0.39
▸ NPY5R Q15761 3/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39

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 SCHEMBL29816943 0.92 NPY4R (0.43) NPY4RSIRT5PADI4PADI1PADI3
SCHEMBL24900018 0.90 SIRT5 (0.49) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL1934309 0.90 SIRT5 (0.49) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL16045801 0.85 SIRT5 (0.57) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL15987249 0.85 SIRT5 (0.57) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL14615959 0.84 SIRT6 (0.44) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL6382960 0.83 NPY4R (0.42) NPY4RPADI4PADI1PADI3PADI2
SCHEMBL6026003 0.83 FOLH1 (0.49) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL468901 0.83 FOLH1 (0.49) NPY4RSIRT5ALBNPY1RNPY2R
SCHEMBL30526285 0.83 FOLH1 (0.49) NPY4RSIRT5ALBNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO disclosed
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