Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2242176

CCNCC.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
FAAH O00519 8/20 0.36
EPHX1 P07099 1/20 0.35
FUCA1 P04066 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CES1 P23141 5/20 0.34
CES2 O00748 2/20 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

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 SCHEMBL28399119 0.95 TP53 (0.40) TP53FAAHEPHX1FUCA1HDAC3
Trifluoroacetic Acid SCHEMBL28666896 0.93 TP53 (0.38) TP53FAAHEPHX1FUCA1HDAC3
Trifluoroacetic Acid SCHEMBL28395953 0.91 FAAH (0.50) FAAHEPHX1FUCA1CES1CES2
Trifluoroacetic Acid SCHEMBL5494836 0.87 FAAH (0.47) FAAHEPHX1FUCA1CES1CES2
Trifluoroacetic Acid SCHEMBL28925949 0.87 FUCA1 (0.33) TP53FUCA1HDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL3651032 0.85 FFAR3 (0.35) EPHX1FUCA1HDAC3HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL15066947 0.83 CA2 (0.39) FAAHEPHX1FUCA1HDAC1CES1
Trifluoroacetic Acid SCHEMBL5238463 0.83 FAAH (0.44) FAAHEPHX1CES1CES2MEN1
Trifluoroacetic Acid SCHEMBL31031817 0.82 FAAH (0.42) FAAHEPHX1CES1CES2MEN1
Trifluoroacetic Acid SCHEMBL27841664 0.82 FAAH (0.42) FAAHEPHX1CES1CES2MEN1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805289-B Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2024-05-28 CN claimed
US-11851392-B2 Self-condensation of aldehydes EASTMAN CHEMICAL COMPANY (US) 2023-12-26 US claimed
CN-116082203-A Shulin acid intermediate impurity and preparation method thereof 宁波大红鹰药业股份有限公司 2023-05-09 CN claimed
CN-114805289-A Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2022-07-29 CN claimed
EP-3880640-A1 SELF-CONDENSATION OF ALDEHYDES Eastman Chemical Company (US) 2021-09-22 EP claimed
CN-112955423-A Self-condensation of aldehydes 伊士曼化工公司 2021-06-11 CN claimed
WO-2020101902-A1 SELF-CONDENSATION OF ALDEHYDES EASTMAN CHEMICAL COMPANY (US) 2020-05-22 WO claimed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP claimed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 WO claimed
CN-114805289-B Preparation method of 1, 4-oxathia-3, 5-dialdehyde cyclohexadiene compound 昆明理工大学 2024-05-28 CN disclosed
US-20240109936-A1 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-04-04 US disclosed
US-11851392-B2 Self-condensation of aldehydes EASTMAN CHEMICAL COMPANY (US) 2023-12-26 US disclosed
CN-116082203-A Shulin acid intermediate impurity and preparation method thereof 宁波大红鹰药业股份有限公司 2023-05-09 CN disclosed
CN-113336654-B Preparation method of N-methyl-3- (2-methylphenoxy) amphetamine 上海医药工业研究院 2022-12-09 CN disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
US-6020450-A Room temperature curable fluoropolymer composition; and fluorine-containing organosilicon compounds, a method of producing the same, and room temperature curable silicone composition containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-02-01 US disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO disclosed
US-5919886-A FLUORINATED POLYAMIDESILICONES SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-07-06 US disclosed
US-5705591-A Room temperature curable fluoropolymer composition; and fluorine-containing organosilicon compounds, a method of producing the same, and room temperature curable silicone composition containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-01-06 US disclosed
EP-0745604-A2 Room temperature curable fluoropolymer composition; and fluorine-containing organosilicon compounds, a method of producing the same, and room temperature curable silicone composition containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-04 EP 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-11851392-B2 Self-condensation of aldehydes ALKBH2, DBF4, ALKBH3 TP53 2059/4885FAAH 1863/4885EPHX1 869/4885
US-20240109936-A1 NOVEL MACROCYCLIC OPIOID PEPTIDES OPRL1, OPRM1, OPRK1 TP53 4767/4885FAAH 1054/4885EPHX1 3067/4885

“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.