Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7323872

CC(C)C[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 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.46
NOS1 P29475 5/20 0.46
NOS2 P35228 5/20 0.46
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
MMP2 P08253 4/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
BACE1 P56817 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
FPR2 P25090 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CTSB P07858 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
Trifluoroacetic Acid SCHEMBL7328092 0.95 NOS3 (0.46) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL7324333 0.95 NOS3 (0.45) NOS3NOS1NOS2TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL7327858 0.90 MMP2 (0.41) NOS3NOS1NOS2MMP2
Trifluoroacetic Acid SCHEMBL7323026 0.90 MMP2 (0.43) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL9297123 0.89 NOS3 (0.45) NOS3NOS1NOS2TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL7317296 0.89 MMP2 (0.42) NOS3NOS1NOS2MMP2BACE1
Trifluoroacetic Acid SCHEMBL7324511 0.89 MMP2 (0.42) NOS3NOS1NOS2MMP2BACE1
Trifluoroacetic Acid SCHEMBL7321835 0.89 MMP2 (0.42) NOS3NOS1NOS2MMP2BACE1
Trifluoroacetic Acid SCHEMBL7327233 0.88 TAS1R3 (0.43) NOS3NOS1NOS2TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL7330577 0.87 ITGB1 (0.40) NOS3NOS1NOS2ITGB3ITGA2B

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