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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7328417

N=C(N)Nc1ccc(C=CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.37
▸ MMP2 P08253 4/20 0.36
▸ NOS2 P35228 4/20 0.34
▸ NOS3 P29474 3/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ HDAC3 O15379 9/20 0.34
▸ HDAC4 P56524 9/20 0.34
▸ HDAC1 Q13547 9/20 0.34
▸ HDAC7 Q8WUI4 9/20 0.34
▸ HDAC2 Q92769 9/20 0.34
▸ HDAC10 Q969S8 9/20 0.34
▸ HDAC11 Q96DB2 9/20 0.34
▸ HDAC8 Q9BY41 9/20 0.34
▸ HDAC6 Q9UBN7 9/20 0.34
▸ HDAC9 Q9UKV0 9/20 0.34
▸ HDAC5 Q9UQL6 9/20 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
SCHEMBL7327405 0.95 PPARG (0.38) PPARGMMP2NOS2HDAC3HDAC4
Trifluoroacetic Acid SCHEMBL7327858 0.84 MMP2 (0.41) PPARGMMP2NOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7323872 0.82 NOS3 (0.46) MMP2NOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7323026 0.82 MMP2 (0.43) PPARGMMP2NOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7328827 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7324926 0.81 NOS2 (0.51) PPARGNOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7321554 0.81 MMP2 (0.40) PPARGMMP2NOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7327233 0.81 TAS1R3 (0.43) MMP2NOS2NOS3NOS1
Trifluoroacetic Acid SCHEMBL7327323 0.80 NPY4R (0.40) MMP2NOS2NOS3NOS1CCKBR
SCHEMBL7321638 0.80 PPARG (0.47) PPARGMMP2NOS2NOS3NOS1

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