Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5880385

CCCCCC.CCO.O=C(O)C(F)(F)F

nearest known ligand 0.56

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Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.56
CES1 P23141 9/20 0.54
CES2 O00748 7/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
EPHX1 P07099 1/20 0.48
AKR1B1 P15121 1/20 0.46
PLA2G6 O60733 1/20 0.45
FUCA1 P04066 1/20 0.45

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
Heptane SCHEMBL1776021 0.97 FAAH (0.58) FAAHCES1CES2MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL12520341 0.97 FAAH (0.54) FAAHCES1CES2MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL3273685 0.95 FAAH (0.61) FAAHCES1CES2MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL5382443 0.93 FAAH (0.50) FAAHCES1CES2MEN1CYP1A2
Trifluoroacetic Acid SCHEMBL28259282 0.92 FAAH (0.54) FAAHCES1CES2MEN1CYP1A2
Nonane SCHEMBL4255344 0.92 FAAH (0.62) FAAHCES1CES2MEN1CYP1A2
Decane SCHEMBL3416451 0.92 FAAH (0.62) FAAHCES1CES2MEN1CYP1A2
Octane SCHEMBL1696265 0.92 FAAH (0.62) FAAHCES1CES2MEN1CYP1A2
Undecane SCHEMBL3628539 0.92 FAAH (0.62) FAAHCES1CES2MEN1CYP1A2
Octane SCHEMBL1123657 0.92 FAAH (0.62) FAAHCES1CES2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116500167-A Method for separating and detecting enantiomer and diastereoisomer of baluo Sha Weizhi 常州英诺升康生物医药科技有限公司 2023-07-28 CN claimed
CN-115541730-A Method for measuring protected amino acid enantiomer 南京锐志生物医药有限公司 2022-12-30 CN claimed
CN-107941970-B Separation and detection method of D-p-hydroxyphenylglycine and enantiomer thereof 常州合全药业有限公司 2021-06-08 CN claimed
CN-110041282-A Related substance of Parecoxib Sodium and its preparation method and application 正大天晴药业集团股份有限公司 2019-07-23 CN claimed
CN-109100430-A A kind of Nateglinide chiral isomer chromatogram analysis method 珠海同益制药有限公司 2018-12-28 CN claimed
CN-115029329-B Carbonyl reductase mutant and application thereof in preparation of R-mandelic acid 上海瀚鸿科技股份有限公司 2024-06-25 CN disclosed
CN-113945672-B Method for detecting ticagrelor and related substances thereof 武汉武药科技有限公司 2024-03-12 CN disclosed
CN-113336636-B Synthesis process of DL-mandelic acid with high yield 湖州柏特生物科技有限公司 2023-11-10 CN disclosed
US-20230323317-A1 NOVEL HYDROLASE AND METHOD FOR PRODUCING (1S,2S)-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE CARBOXYLIC ACID USING SAME API CORPORATION (JP) 2023-10-12 US disclosed
CN-116500167-A Method for separating and detecting enantiomer and diastereoisomer of baluo Sha Weizhi 常州英诺升康生物医药科技有限公司 2023-07-28 CN disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
CN-115368278-B Method for preparing benzenesulfonic acid compound by hydrolyzing benzenesulfonamide compound 北京鑫开元医药科技有限公司 2023-04-11 CN disclosed
US-5965432-A PREFERENTIALLY METABOLIZING (S) ENANTOMORPH OF MIXTURE USING CULTURE OF ARTHROBACTER, CULTURE LIQUID, GEL IMMOBILIZED CELLS, FREEZE-DRIED OR ACETONE-DRIED CELLS, GROUND OR AUTODIGESTED CELLS, ULTRASONIC TREATED OR EXTRACTED CELLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-12 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0877736-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-11-18 EP disclosed
EP-0848065-A2 Method for improving optical purity of an amine compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-06-17 EP disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1997022591-A1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-06-26 WO disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed
US-5457225-A Process for preparation of 5-hydroxy-3-ketoester derivative and optically active substance thereof UBE INDUSTRIES LTD. (JP) 1995-10-10 US 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 FAAH 2471/4885CES1 2236/4885CES2 4107/4885

“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.