Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3971510

CN(C)c1nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c(=O)n1C.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.59
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
FAP Q12884 1/20 0.48

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
SCHEMBL3974484 0.93 DPP4 (0.67) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3973722 0.89 DPP4 (0.62) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3971379 0.89 DPP4 (0.62) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3971266 0.87 DPP4 (0.59) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3975265 0.86 DPP4 (0.59) DPP4FAP
Trifluoroacetic Acid SCHEMBL3965787 0.86 DPP4 (0.56) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971217 0.85 DPP4 (0.64) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL3971299 0.85 DPP4 (0.58) DPP4ALDH1A1LMNAMAPTTSHR
Trifluoroacetic Acid SCHEMBL1071792 0.85 DPP4 (0.58) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3972033 0.85 DPP4 (0.61) DPP4ALDH1A1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed