Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7329305

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1ccc(NC(=N)N)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGB1 P05556 7/20 0.43
ITGAV P06756 6/20 0.43
ITGA5 P08648 6/20 0.43
MDM2 Q00987 5/20 0.43
MDM4 O15151 3/20 0.43
ITGA4 P13612 1/20 0.42
ITGA2B P08514 2/20 0.41
F7 P08709 7/20 0.41
F2 P00734 4/20 0.40
F10 P00742 1/20 0.40
PTPN1 P18031 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPRA P18433 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
TMPRSS15 P98073 1/20 0.37

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
SCHEMBL7322874 0.95 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA5MDM2
Trifluoroacetic Acid SCHEMBL7326644 0.91 ITGB3 (0.49) ITGB3ITGB1ITGAVITGA5MDM2
Trifluoroacetic Acid SCHEMBL7321339 0.86 CTSB (0.41) ITGB1ITGA4F7
SCHEMBL7317973 0.85 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7328446 0.85 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5MDM2
Trifluoroacetic Acid SCHEMBL7323357 0.84 ITGB1 (0.40) ITGB3ITGB1ITGA4ITGA2BF7
Trifluoroacetic Acid SCHEMBL7330112 0.84 CASP3 (0.42) ITGB3ITGB1ITGA4ITGA2B
Trifluoroacetic Acid SCHEMBL7321281 0.83 ITGB1 (0.42) ITGB1ITGA4
Trifluoroacetic Acid SCHEMBL7321273 0.82 ITGB1 (0.45) ITGB3ITGB1ITGA4ITGA2BPTPN1
Trifluoroacetic Acid SCHEMBL7308419 0.82 ITGB3 (0.46) ITGB3ITGA2BF2

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