Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7327233

CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C=Cc1ccc(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 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MMP2 P08253 5/20 0.42
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
NOS3 P29474 4/20 0.37
NOS1 P29475 4/20 0.37
NOS2 P35228 4/20 0.37
GNPAT O15228 1/20 0.37
PTPN1 P18031 1/20 0.36
MCHR1 Q99705 2/20 0.36
LMNA P02545 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 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
Trifluoroacetic Acid SCHEMBL7323026 0.95 MMP2 (0.43) TAS1R3TAS1R1MMP2SAE1UBA2
Trifluoroacetic Acid SCHEMBL7321554 0.92 MMP2 (0.40) MMP2NOS3NOS1NOS2GNPAT
Trifluoroacetic Acid SCHEMBL7327323 0.91 NPY4R (0.40) MMP2NOS3NOS1NOS2GNPAT
Trifluoroacetic Acid SCHEMBL7327858 0.89 MMP2 (0.41) MMP2NOS3NOS1NOS2PTPN1
Trifluoroacetic Acid SCHEMBL7323872 0.88 NOS3 (0.46) TAS1R3TAS1R1MMP2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7321676 0.86 ENPEP (0.39) MMP2NOS3NOS1NOS2
SCHEMBL7330015 0.86 MMP2 (0.42) TAS1R3TAS1R1MMP2GNPATCA1
Trifluoroacetic Acid SCHEMBL7317296 0.85 MMP2 (0.42) MMP2NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7321835 0.85 MMP2 (0.42) MMP2NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7324511 0.85 MMP2 (0.42) MMP2NOS3NOS1NOS2

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