Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4363454

NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.55
TP53 P04637 3/20 0.55
KMT2A Q03164 2/20 0.53
MDM2 Q00987 6/20 0.51
CASP3 P42574 2/20 0.50
SLC17A5 Q9NRA2 1/20 0.47

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
SCHEMBL29401087 0.94 MDM4 (0.60) MDM4TP53KMT2AMDM2CASP3
SCHEMBL29400989 0.94 MDM4 (0.60) MDM4TP53KMT2AMDM2CASP3
SCHEMBL418101 0.94 MDM4 (0.60) MDM4TP53KMT2AMDM2CASP3
SCHEMBL418102 0.94 MDM4 (0.60) MDM4TP53KMT2AMDM2CASP3
SCHEMBL15806915 0.94 MDM4 (0.60) MDM4TP53KMT2AMDM2CASP3
Hydrochloric Acid SCHEMBL23455559 0.93 MDM4 (0.59) MDM4TP53KMT2AMDM2CASP3
Hydrochloric Acid SCHEMBL16620346 0.93 MDM4 (0.59) MDM4TP53KMT2AMDM2CASP3
Hydrochloric Acid SCHEMBL31370422 0.93 MDM4 (0.59) MDM4TP53KMT2AMDM2CASP3
Trifluoroacetic Acid SCHEMBL4363443 0.91 MDM2 (0.54) MDM4TP53KMT2AMDM2CASP3
Trifluoroacetic Acid SCHEMBL4355580 0.89 MDM2 (0.57) MDM4TP53KMT2AMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923397-B1 Fluorinated amino acids and peptides NERVIANO MEDICAL SCIENCES SRL (IT) 2009-10-28 EP disclosed
EP-1923397-A1 Fluorinated amino acids and peptides NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-05-21 EP disclosed