Acetic Acid

Acetic Acid

SCHEMBL303386

CC(=O)O.CCNN(CC)CC

nearest known ligand 0.39

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH2 P05091 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
Acetic Acid SCHEMBL9126028 0.95 FFAR3 (0.35) FFAR3LCKFYNKDM4EL3MBTL1
SCHEMBL8665225 0.82 FFAR3 (0.35) FFAR3KDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL28142666 0.82 KDM4E (0.31) KDM4EL3MBTL1
SCHEMBL1792330 0.82
SCHEMBL21255198 0.70
SCHEMBL1803265 0.70
SCHEMBL11599646 0.70
Acetic Acid SCHEMBL19356582 0.69 FFAR3 (0.50) FFAR3LCKFYNKDM4EALDH1A1
N,N-Dimethylethanaminium SCHEMBL3408050 0.69
Diethylamine SCHEMBL21834232 0.69 TP53 (0.57) FFAR3LCKFYNKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106918651-B Method for detecting related substances of posaconazole 江苏先声药业有限公司 2021-06-04 CN claimed
CN-106918651-A A kind of relevant substance detecting method of posaconazole 江苏先声药业有限公司 2017-07-04 CN claimed
US-11332779-B2 Nucleic acid melting analysis with saturation dyes BIOFIRE DEFENSE, LLC (US) 2022-05-17 US disclosed
CN-106918651-B Method for detecting related substances of posaconazole 江苏先声药业有限公司 2021-06-04 CN disclosed
US-20200248247-A1 Nucleic Acid Melting Analysis with Saturation Dyes UNIVERSITY OF UTAH 2020-08-06 US disclosed
EP-2826867-B1 Nucleic acid melting analysis with saturation dyes UNIV UTAH RES FOUND (US) 2020-06-03 EP disclosed
US-10655169-B2 Nucleic acid melting analysis with saturation dyes UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2020-05-19 US disclosed
EP-2772552-B1 Amplicon melting analysis with saturation dyes UNIV UTAH RES FOUND (US) 2018-10-10 EP disclosed
US-20180066137-A1 AMPLICON MELTING ANALYSIS WITH SATURATION DYES WITTWER CARL T (US) 2018-03-08 US disclosed
US-9850381-B2 Amplicon melting analysis with saturation dyes UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-12-26 US disclosed
US-20170226573-A1 NUCLEIC ACID MELTING ANALYSIS WITH SATURATION DYES UNIVERSITY OF UTAH 2017-08-10 US disclosed
CN-101198706-A Nucleic acid melting analysis with saturating dyes UNIV UTAH RES FOUND (US) 2008-06-11 CN disclosed
EP-1774047-A2 NUCLEIC ACID MELTING ANALYSIS WITH SATURATION DYES University of Utah Research Foundation (US) 2007-04-18 EP disclosed
CN-1934270-A Amplicon melting analysis with saturation dyes UNIV UTAH RES FOUND (US) 2007-03-21 CN disclosed
US-20070020672-A1 Nucleic acid melting analysis with saturation dyes IDAHO TECHNOLOGY, INC. (US) 2007-01-25 US disclosed
WO-2006121423-A2 NUCLEIC ACID MELTING ANALYSIS WITH SATURATION DYES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2006-11-16 WO disclosed
US-20060019253-A1 Polymerase chain reaction analysis by mixing a dsDNA binding dye with a sample of target nucleic acid and primers configured for amplifying; melting the amplified target nucleic acid to generate a melting curve; plotting; repeating; comparison; melting curve difference for each target nucleic acid NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-26 US disclosed
US-20050233335-A1 standard PCR solution with additional saturating double-stranded (ds) DNA binding dye; fluorescence; cyanine dyes UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2005-10-20 US disclosed
EP-1558762-A2 AMPLICON MELTING ANALYSIS WITH SATURATION DYES University of Utah Research Foundation (US) 2005-08-03 EP disclosed
WO-2004038038-A2 AMPLICON MELTING ANALYSIS WITH SATURATION DYES UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-05-06 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 (4 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-20060019253-A1 Polymerase chain reaction analysis by mixing a dsDNA binding dye with a sample of target nucleic acid and primers configured for amplifying; melting the amplified target nucleic acid to generate a melting curve; plotting; repeating; comparison; melting curve difference for each target nucleic acid POLL, DNA2, POLRMT FFAR3 4149/4885LCK 3843/4885FYN 4698/4885
US-20070020672-A1 Nucleic acid melting analysis with saturation dyes DNA2, POLL, POLRMT FFAR3 1955/4885LCK 4447/4885FYN 4772/4885
US-20050233335-A1 standard PCR solution with additional saturating double-stranded (ds) DNA binding dye; fluorescence; cyanine dyes DDB1, POLL, POLRMT FFAR3 1521/4885LCK 3727/4885FYN 4242/4885
US-20180066137-A1 AMPLICON MELTING ANALYSIS WITH SATURATION DYES NOP2, POLL, DNA2 FFAR3 2135/4885LCK 3417/4885FYN 4064/4885

“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.