Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15066947

CCNO.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
FAAH O00519 8/20 0.36
EPHX1 P07099 1/20 0.35
FUCA1 P04066 1/20 0.35
CES1 P23141 5/20 0.34
CES2 O00748 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR3 O14843 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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 SCHEMBL2242176 0.83 TP53 (0.44) FAAHEPHX1FUCA1CES1CES2
Trifluoroacetic Acid SCHEMBL31031817 0.82 FAAH (0.42) CA2FAAHEPHX1CES1CES2
Trifluoroacetic Acid SCHEMBL28336879 0.82 CA2 (0.47) CA2EPHX1FUCA1CES1MEN1
Trifluoroacetic Acid SCHEMBL27841664 0.82 FAAH (0.42) CA2FAAHEPHX1CES1CES2
Trifluoroacetic Acid SCHEMBL15711042 0.79 FAAH (0.46) FAAHEPHX1FUCA1CES1CES2
Trifluoroacetic Acid SCHEMBL3794549 0.79 FAAH (0.40) FAAHFUCA1CES1CES2MEN1
Trifluoroacetic Acid SCHEMBL281599 0.79 FAAH (0.40) FAAHFUCA1CES1CES2MEN1
Trifluoroacetic Acid SCHEMBL30324569 0.79 FAAH (0.40) FAAHFUCA1CES1CES2MEN1
Trifluoroacetic Acid SCHEMBL6273587 0.79 HDAC4 (0.39) FAAHEPHX1FUCA1CES1CES2
Trifluoroacetic Acid SCHEMBL28399119 0.79 TP53 (0.40) FAAHEPHX1FUCA1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556158-B2 Fungicidal 3-[(pyridin-2-ylmethoxyimino)(phenyl)methyl]-2-substituted-1,2,4-oxadiazol-5(2H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-31 US disclosed
CN-104470896-B Fungicidal 3- [ (pyridin-2-ylmethoxyimino) (phenyl) methyl ] -2-substituted-1, 2, 4-oxadiazol-5 (2H) -one derivatives 拜耳知识产权有限责任公司 2016-11-09 CN disclosed
CN-104039769-B 3-[(1,3-thiazole-4-yl methoxyimino) (phenyl) methyl]-2-substituted-1,2,4-diazole-5 (2H) the-one derivant of antifungal 拜耳知识产权有限责任公司 2016-10-19 CN disclosed
US-9326515-B2 Fungicidal 3-[(1,3-thiazol-4-ylmethoxyimino)(phenyl)methyl]-2-substituted-1,2,4-oxadiazol-5(2H)-one derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-03 US disclosed
EP-2797891-B1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-09-30 EP disclosed
EP-2797895-B1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER IP GMBH (DE) 2015-08-05 EP disclosed
CN-104470896-A Fungicidal 3- [ (pyridin-2-ylmethoxyimino) (phenyl) methyl ] -2-substituted-1, 2, 4-oxadiazol-5 (2H) -one derivatives BAYER IP GMBH 2015-03-25 CN disclosed
US-20150031730-A1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-29 US disclosed
US-20140350058-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
EP-2797895-A1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-11-05 EP disclosed
EP-2797891-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-11-05 EP disclosed
WO-2013098146-A1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 WO disclosed
WO-2013098147-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140350058-A1 FUNGICIDAL 3-[(PYRIDIN-2-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES CYP51A1, AZI2, PNPO CA2 1754/4885FAAH 4169/4885EPHX1 893/4885
US-20150031730-A1 FUNGICIDAL 3-[(1,3-THIAZOL-4-YLMETHOXYIMINO)(PHENYL)METHYL]-2-SUBSTITUTED-1,2,4-OXADIAZOL-5(2H)-ONE DERIVATIVES CYP51A1, TH, CYP4X1 CA2 965/4885FAAH 4512/4885EPHX1 1225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.