Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL894768

O=C(CC(S)S)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.43
CES1 P23141 6/20 0.34
FAAH O00519 8/20 0.32
CES2 O00748 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACE P12821 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
SCHEMBL3628918 0.93 CPA1 (0.38) CPA1CES1FAAHCES2MEN1
SCHEMBL20995341 0.73 FAAH (0.38) CPA1CES1FAAHCES2MEN1
Trifluoroacetic Acid SCHEMBL5493316 0.71 RNPEP (0.36) MEN1KMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL7814389 0.69 ALDH1A1 (0.44) CES1FAAHMEN1KMT2A
Trifluoroacetic Acid SCHEMBL30657022 0.69
Trifluoroacetic Acid SCHEMBL474 0.69
Trifluoroacetic Acid SCHEMBL4598430 0.69
Trifluoroacetic Acid SCHEMBL2484766 0.69 ALDH1A1 (0.44) CES1FAAHMEN1KMT2A
Trifluoroacetic Acid SCHEMBL449641 0.69 RNPEP (0.35) MEN1KMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL21522569 0.68 ALDH1A1 (0.35) CES1MEN1KMT2AACE

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
US-20120082619-A1 Labelled adrenomedullin derivatives and their use for imaging and therapy PULMOSCIENCE INC. (CA) 2012-04-05 US disclosed
EP-1749026-B1 LABELLED ADRENOMEDULLIN DERIVATIVES AND THEIR USE FOR IMAGING AND THERAPY INST CARDIOLOGIE MONTREAL (CA) 2011-11-23 EP disclosed