Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7330577

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN(C)C(=O)C=Cc1ccc(NC(=N)N)cc1)C(=O)O.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
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NPY4R P50391 1/20 0.37
F2R P25116 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TACR3 P29371 1/20 0.35
TP53 P04637 1/20 0.34
FPR2 P25090 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSB P07858 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
Trifluoroacetic Acid SCHEMBL7319506 0.91 MAPT (0.40) ITGB1ITGA4GAAMAPTITGB3
Trifluoroacetic Acid SCHEMBL9296670 0.89 GAA (0.39) ITGB1ITGA4GAAMAPTMEN1
Trifluoroacetic Acid SCHEMBL7327884 0.88 NPY4R (0.41) ITGB1ITGA4GAAMAPTNPY4R
Trifluoroacetic Acid SCHEMBL7323872 0.87 NOS3 (0.46) ITGB1ITGA4ITGB3ITGA2BFPR2
SCHEMBL7328856 0.83 GAA (0.40) GAAMAPTMEN1KMT2AFPR2
Trifluoroacetic Acid SCHEMBL7328092 0.82 NOS3 (0.46) ITGB1ITGA4ITGB3ITGA2BNPY4R
SCHEMBL7324333 0.82 NOS3 (0.45) MAPTFPR2ALDH1A1LMNANOS3
Trifluoroacetic Acid SCHEMBL7317296 0.78 MMP2 (0.42) ITGB1ITGA4MEN1KMT2ANOS3
Trifluoroacetic Acid SCHEMBL7321835 0.78 MMP2 (0.42) ITGB1ITGA4MEN1KMT2ANOS3
Trifluoroacetic Acid SCHEMBL7324511 0.78 MMP2 (0.42) ITGB1ITGA4MEN1KMT2ANOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP claimed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP claimed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO claimed
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed