Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3555121

C[n+]1ccccc1.O=C([O-])C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 3/20 0.35
HDAC3 O15379 4/20 0.33
HDAC4 P56524 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC7 Q8WUI4 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC10 Q969S8 4/20 0.33
HDAC11 Q96DB2 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HDAC9 Q9UKV0 4/20 0.33
HDAC5 Q9UQL6 4/20 0.33
KMT2A Q03164 1/20 0.32
CES1 P23141 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NNMT P40261 1/20 0.31
KCNN1 Q92952 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
Trifluoroacetic Acid SCHEMBL2262918 1.00 USP2 (0.39) USP2NPSR1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL2262922 0.96 USP2 (0.37) USP2NPSR1HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL6756338 0.86 CES1 (0.34) USP2KMT2ACES1NNMT
Bicarbonate SCHEMBL28802052 0.83 USP2 (0.46) USP2KMT2ANNMT
Trifluoroacetic Acid SCHEMBL2160769 0.81 CES1 (0.34) NPSR1HDAC3HDAC4HDAC1HDAC7
Acetic Acid SCHEMBL2039260 0.80 USP2 (0.45) USP2KMT2ANNMT
Acetic Acid SCHEMBL7068267 0.80 USP2 (0.45) USP2KMT2ANNMT
Oxalic Acid SCHEMBL21814394 0.80 USP2 (0.45) USP2KMT2ANNMT
Acetic Acid SCHEMBL9159557 0.78 USP2 (0.43) USP2KMT2ANNMT
Acetic Acid SCHEMBL2048768 0.78 USP2 (0.43) USP2KMT2ANNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007510649-A 2007-04-26 JP claimed
EP-1682550-A4 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2007-01-03 EP claimed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 EP claimed
CN-1628087-A Production of alkenones SOLVAY FLUOR & DERIVATE (DE) 2005-06-15 CN claimed
WO-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 WO claimed
CN-114956969-B Preparation method of 4-ethoxy-1, 1-trifluoro-3-butene-2-ketone 永农生物科学有限公司 2024-04-16 CN disclosed
CN-110573137-B Odorless thiols for permanent wave, straightening and dehairing applications 宝洁公司 2023-08-18 CN disclosed
CN-114956969-A Preparation method of 4-ethoxy-1, 1, 1-trifluoro-3-butene-2-one 永农生物科学有限公司 2022-08-30 CN disclosed
EP-3614999-B1 ODORLESS THIOLS FOR PERMANENT WAVING, STRAIGHTENING AND DEPILATORY APPLICATIONS PROCTER & GAMBLE (US) 2022-07-13 EP disclosed
CN-110573137-A Odorless thiols for long lasting wave, straightening and depilatory applications 宝洁公司 2019-12-13 CN disclosed
US-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
CN-1628087-A Production of alkenones SOLVAY FLUOR & DERIVATE (DE) 2005-06-15 CN disclosed
US-6759420-B1 LOW MOLECULAR WEIGHT, FACTOR XA SPECIFIC BLOOD CLOTTING INHIBITORS WITHOUT SIDE EFFECTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 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 (1 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 USP2 3125/4885NPSR1 3785/4885HDAC3 2144/4885

“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.