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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7040089

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CNC(N)=O)cc1)C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPY1R P25929 11/20 0.37
▸ NPY4R P50391 4/20 0.36
▸ NPY2R P49146 1/20 0.34
▸ NPY5R Q15761 1/20 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
SCHEMBL6898666 0.94 CYP2C9 (0.45) CYP2C9CYP2C19NPY1RNPY4RNPY2R
Trifluoroacetic Acid SCHEMBL7042830 0.92 NPY1R (0.38) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL649619 0.92 NPY1R (0.43) NPY1RNPY4RNPY5R
Trifluoroacetic Acid SCHEMBL7045238 0.92 NPY1R (0.43) NPY1RNPY4RNPY5R
SCHEMBL6898966 0.87 TDP1 (0.36) CYP2C9CYP2C19NPY1RNPY4RNPY5R
SCHEMBL7059809 0.87 NPY1R (0.42) NPY1RNPY4RNPY5R
SCHEMBL6899868 0.87 NPY1R (0.42) NPY1RNPY4RNPY5R
SCHEMBL6898240 0.86 NPY1R (0.38) NPY1RNPY4RNPY2RNPY5R
SCHEMBL4651999 0.86 CNR1 (0.43) NPY1RNPY2RNPY5R
Trifluoroacetic Acid SCHEMBL7043313 0.86 NPY1R (0.44) NPY1RNPY4R

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
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 — — EP disclosed
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