Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8918909

CC(C)C(=O)OC[C@H]1CCCN(C(=O)O)C1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 7/20 0.41
DPP7 Q9UHL4 3/20 0.41
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
DPP4 P27487 7/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
IL2RA P01589 1/20 0.34
ALB P02768 1/20 0.34
IL2 P60568 1/20 0.34
EPHX2 P34913 1/20 0.34
GRM3 Q14832 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
SCHEMBL8578262 0.92 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3BCHE
SCHEMBL8578269 0.92 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3BCHE
Trifluoroacetic Acid SCHEMBL8578978 0.87 CHRNB2 (0.41) DPP8DPP7CHRNB2CHRNA4CHRNB4
Trifluoroacetic Acid SCHEMBL8917318 0.82 CHRNB2 (0.41) DPP8DPP7CHRNB2CHRNA4CHRNB4
SCHEMBL3655590 0.76 POLB (0.44) CHRNB2CHRNA4CHRNB4CHRNA3GRM3
SCHEMBL3778464 0.76 POLB (0.44) CHRNB2CHRNA4CHRNB4CHRNA3GRM3
SCHEMBL22370868 0.75 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3BCHE
SCHEMBL8578265 0.74 RAB9A (0.40) CHRNB2CHRNA4CHRNB4CHRNA3BCHE
SCHEMBL18185628 0.74 NPC1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3BCL9
SCHEMBL8719595 0.73 LMNA (0.45) CHRNB2CHRNA4CHRNB4CHRNA3BCHE

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
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed