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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8701786

N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C3\CCN(Cc4cc[n+](CC(=O)Nc5ccc(F)c(F)c5)cc4)C3=O)CS[C@H]12.O=C([O-])C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.34
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ TDP1 Q9NUW8 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 SCHEMBL5507641 0.95 HDAC1 (0.34) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL5507637 0.95 HDAC1 (0.34) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8701774 0.94 HDAC1 (0.34) HDAC1POLB
Trifluoroacetic Acid SCHEMBL8701806 0.94 HDAC1 (0.34) HDAC1POLB
Trifluoroacetic Acid SCHEMBL5501760 0.92 DRD2 (0.32) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL5501776 0.92 DRD2 (0.32) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8705695 0.92 HDAC1 (0.31) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL5507628 0.91 HDAC1 (0.34) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8705773 0.91 HDAC1 (0.33) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8703933 0.90 HSP90AA1 (0.35) HDAC1POLBMAPTPKMHTT

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