Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4359904

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

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.56
TLR2 O60603 4/20 0.54
MDM4 O15151 3/20 0.51
TP53 P04637 3/20 0.51
KMT2A Q03164 1/20 0.48

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 SCHEMBL4355580 0.97 MDM2 (0.57) MDM2TLR2MDM4TP53KMT2A
SCHEMBL2157081 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29352159 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL2089279 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL3624369 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29466503 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29514436 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29865029 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
SCHEMBL29602166 0.95 TLR2 (0.58) MDM2TLR2MDM4TP53KMT2A
Hydrochloric Acid SCHEMBL25356870 0.94 TLR2 (0.59) MDM2TLR2MDM4TP53KMT2A

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