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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7042830

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 10/20 0.38
▸ NPY4R P50391 4/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ TMPRSS6 Q8IU80 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
SCHEMBL6898966 0.95 TDP1 (0.36) NPY1RNPY4RTDP1
Trifluoroacetic Acid SCHEMBL7045238 0.93 NPY1R (0.43) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL649619 0.93 NPY1R (0.43) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL7040089 0.92 CYP2C9 (0.40) NPY1RNPY4R
SCHEMBL6899868 0.88 NPY1R (0.42) NPY1RNPY4RTDP1
SCHEMBL7059809 0.88 NPY1R (0.42) NPY1RNPY4RTDP1
SCHEMBL6898240 0.87 NPY1R (0.38) NPY1RNPY4R
SCHEMBL7751923 0.86 TDP1 (0.48) TDP1
Trifluoroacetic Acid SCHEMBL7043313 0.86 NPY1R (0.44) NPY1RNPY4R
SCHEMBL6898666 0.86 CYP2C9 (0.45) 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