Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7327062

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCNC(=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 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
HTRA1 Q92743 5/20 0.38
MMP2 P08253 4/20 0.38
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
NPY4R P50391 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CTSB P07858 1/20 0.34
CCKBR P32239 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 SCHEMBL7321339 0.92 CTSB (0.41) ITGB1ITGA4HTRA1MMP2CTSB
Trifluoroacetic Acid SCHEMBL7324511 0.90 MMP2 (0.42) ITGB1ITGA4HTRA1MMP2
Trifluoroacetic Acid SCHEMBL7321835 0.90 MMP2 (0.42) ITGB1ITGA4HTRA1MMP2
Trifluoroacetic Acid SCHEMBL7317296 0.90 MMP2 (0.42) ITGB1ITGA4HTRA1MMP2
Trifluoroacetic Acid SCHEMBL7319506 0.85 MAPT (0.40) ITGB1ITGA4HTRA1MMP2ITGB3
SCHEMBL7326943 0.85 MMP2 (0.44) HTRA1MMP2ITGB3ITGA2B
SCHEMBL7326842 0.85 MMP2 (0.44) HTRA1MMP2ITGB3ITGA2B
SCHEMBL7316571 0.85 MMP2 (0.44) HTRA1MMP2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7321899 0.82 HTRA1 (0.41) ITGB1ITGA4HTRA1MMP2CTSB
Trifluoroacetic Acid SCHEMBL7321273 0.81 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGA2BNPY4R

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