Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7326606

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C=Cc1ccc(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 9)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 8/20 0.43
NOS2 P35228 8/20 0.42
NOS3 P29474 7/20 0.42
NOS1 P29475 7/20 0.42
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
EED O75530 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 SCHEMBL7330375 0.89 HTRA1 (0.41) HTRA1NOS2NOS3NOS1BACE1
Trifluoroacetic Acid SCHEMBL7324511 0.87 MMP2 (0.42) HTRA1NOS2NOS3NOS1BACE1
Trifluoroacetic Acid SCHEMBL7321835 0.87 MMP2 (0.42) HTRA1NOS2NOS3NOS1BACE1
Trifluoroacetic Acid SCHEMBL7317296 0.87 MMP2 (0.42) HTRA1NOS2NOS3NOS1BACE1
SCHEMBL9724536 0.84 TDP1 (0.51) HTRA1NOS2NOS3NOS1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL7321075 0.82 MAOB (0.42) HTRA1NOS2NOS3NOS1MEN1
SCHEMBL7325542 0.81 HDAC1 (0.44) NOS2NOS3NOS1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7321899 0.80 HTRA1 (0.41) HTRA1NOS2MEN1KMT2A
SCHEMBL7326842 0.80 MMP2 (0.44) HTRA1NOS2NOS3NOS1MEN1
SCHEMBL7316571 0.80 MMP2 (0.44) HTRA1NOS2NOS3NOS1MEN1

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