Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2214877

N#CCC(=O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.39
CES1 P23141 6/20 0.34
FAAH O00519 8/20 0.32
CPA1 P15085 1/20 0.32
CES2 O00748 2/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL573401 0.93
Acetic Acid SCHEMBL1991353 0.88 MCL1 (0.38) MCL1CES1FAAHCES2CYP1A2
Trifluoroacetic Acid SCHEMBL21226529 0.77 MCL1 (0.36) MCL1
Trifluoroacetic Acid SCHEMBL28832532 0.76 ALDH1A1 (0.36) CES1
Trifluoroacetic Acid SCHEMBL7080470 0.76 MCL1 (0.44) MCL1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL23043751 0.75 ALDH1A1 (0.47) MCL1CES1FAAHCES2CYP1A2
SCHEMBL1011084 0.75
Trifluoroacetic Acid SCHEMBL27350364 0.75 ALDH1A1 (0.47) MCL1CES1FAAHCES2CYP1A2
Trifluoroacetic Acid SCHEMBL9416914 0.73 CA2 (0.40) CES1
SCHEMBL1014847 0.73 MCL1 (0.40) MCL1CYP1A2CYP3A4CYP2C19

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-1219713-B1 PROCESS FOR PRODUCING TRANSGLUTAMINASE AJINOMOTO KK (JP) 2011-11-09 EP disclosed
US-7972829-B2 Process for producing transglutaminase AJINOMOTO CO., INC. (JP) 2011-07-05 US disclosed
US-7723067-B2 Process for producing transglutaminase AJINOMOTO CO., INC. (JP) 2010-05-25 US disclosed
EP-1219713-A1 PROCESS FOR PRODUCING TRANSGLUTAMINASE Ajinomoto Co., Inc. (JP) 2002-07-03 EP disclosed