Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6586228

NCCCn1cc(-c2n[nH]c(=O)n2-c2cccc3ccccc23)c2cc(F)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HSP90AA1 P07900 6/20 0.40
GSK3B P49841 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTR6 P50406 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 SCHEMBL6590347 0.91 CAMK2D (0.43) CAMK2DCNR1CNR2HSP90AA1GSK3B
Trifluoroacetic Acid SCHEMBL6588330 0.87 CAMK2D (0.43) CAMK2DHSP90AA1GSK3BPTGDR2HTR6
Trifluoroacetic Acid SCHEMBL6585782 0.85 CAMK2D (0.45) CAMK2DHSP90AA1PTGDR2
Hydrochloric Acid SCHEMBL6587648 0.83 HSP90AA1 (0.43) CAMK2DCNR1CNR2HSP90AA1GSK3B
Trifluoroacetic Acid SCHEMBL6591980 0.83 ICMT (0.37) CAMK2DCNR1CNR2HSP90AA1GSK3B
Trifluoroacetic Acid SCHEMBL6586436 0.82 CAMK2D (0.45) CAMK2DHSP90AA1GSK3BPTGDR2HTR6
Trifluoroacetic Acid SCHEMBL6587087 0.82 HSP90AA1 (0.37) CAMK2DHSP90AA1GSK3BPTGDR2HTR6
Trifluoroacetic Acid SCHEMBL6586877 0.82 ICMT (0.38) CAMK2DHSP90AA1GSK3BPTGDR2HTR6
Trifluoroacetic Acid SCHEMBL6584844 0.81 CAMK2D (0.37) CAMK2DCNR1CNR2HSP90AA1PTGDR2
Hydrochloric Acid SCHEMBL6592479 0.81 PLK1 (0.42) CAMK2DHSP90AA1GSK3BHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed