Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7449149

CC(C)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
DPP8 Q6V1X1 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
DPP4 P27487 2/20 0.33
SLC7A5 Q01650 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MLYCD O95822 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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 SCHEMBL7444190 1.00 NOS1 (0.34) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL20984227 0.86 TP53 (0.43) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL29880406 0.86 SLC7A5 (0.36) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL4093984 0.86 SLC7A5 (0.36) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL5048203 0.86 SLC7A5 (0.36) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL7720576 0.86 NOS1 (0.33) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetic Acid SCHEMBL4093986 0.86 SLC7A5 (0.36) NOS1NOS2DPP8DPP7DPP4
Trifluoroacetamide SCHEMBL27476388 0.86 LMNA (0.32) MLYCDLMNAALOX15BLMPMP22
Trifluoroacetic Acid SCHEMBL27623283 0.82 TP53 (0.42) DPP8DPP7DPP4SLC7A5ALDH1A1
Trifluoroacetic Acid SCHEMBL3416090 0.82 SLC7A5 (0.41) DPP8DPP7DPP4SLC7A5ALDH1A1

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-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed