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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8701852

N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(Cc4ccc[n+](CC(=O)Nc5cccc(O)c5)c4)C3=O)CS[C@H]12.O=C([O-])C(F)(F)F

nearest known ligand 0.32

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31

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 SCHEMBL8701844 0.94 HDAC1 (0.31) HDAC1
Trifluoroacetic Acid SCHEMBL8701857 0.94 HDAC1 (0.31) HDAC1
Trifluoroacetic Acid SCHEMBL8707018 0.93 MAPT (0.33) POLBMAPTPKMHTTDUSP3
Trifluoroacetic Acid SCHEMBL8705773 0.93 HDAC1 (0.33) POLBMAPTPKMHTTDUSP3
Trifluoroacetic Acid SCHEMBL8702817 0.92 HDAC1 (0.32) POLBMAPTPKMHTTDUSP3
Trifluoroacetic Acid SCHEMBL8705758 0.87 HDAC1 (0.33) HDAC1
Trifluoroacetic Acid SCHEMBL8707012 0.87 KDM4E (0.30) MAPTTDP1HDAC1
Trifluoroacetic Acid SCHEMBL8705789 0.87 HDAC1 (0.33) HDAC1
Trifluoroacetic Acid SCHEMBL8707026 0.87 KDM4E (0.30) MAPTTDP1HDAC1
Trifluoroacetic Acid SCHEMBL8702826 0.86 HDAC1 (0.32) HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838465-A1 Pyridinium-substituted (lactamylvinyl)cephalosporin derivatives, their preparation and their use as antibiotics F. HOFFMANN-LA ROCHE AG (CH) 1998-04-29 — — EP disclosed