Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7439215

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR2 O95136 3/20 0.40
S1PR5 Q9H228 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
EPHX1 P07099 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
NPY1R P25929 3/20 0.35
NPY2R P49146 3/20 0.35
NPY5R Q15761 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35

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
Synthalin SCHEMBL29526432 0.87 MEN1 (0.52) NPY4RMEN1KMT2AS1PR1S1PR3
SCHEMBL5089242 0.85 MEN1 (0.50) NPY4RMEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL22277155 0.85 MEN1 (0.50) NPY4RMEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL18601807 0.85 MEN1 (0.50) NPY4RMEN1KMT2ASMN1; SMN2EPHX1
Hydrochloric Acid SCHEMBL6241672 0.84 MEN1 (0.48) NPY4RMEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL19145361 0.83 MEN1 (0.47) NPY4RMEN1KMT2ASMN1; SMN2EPHX1
Trifluoroacetic Acid SCHEMBL23796915 0.81 KDM4E (0.50) NPY4RMEN1KMT2AS1PR1S1PR3
Trifluoroacetic Acid SCHEMBL8921713 0.80 NPY4R (0.38) NPY4RMEN1KMT2AS1PR1S1PR3
Trifluoroacetic Acid SCHEMBL8920249 0.80 NPY4R (0.38) NPY4RMEN1KMT2AS1PR1S1PR3
Trifluoroacetic Acid SCHEMBL6762936 0.79 SMN1; SMN2 (0.44) NPY4RMEN1KMT2AS1PR1S1PR3

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