Acetic Acid

Acetic Acid

SCHEMBL585565

CC(=O)O.CCOCC(=O)O

nearest known ligand 0.42

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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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
FFAR3 O14843 3/20 0.40
PTGS1 P23219 1/20 0.39
LMNA P02545 2/20 0.39
CTH P32929 1/20 0.39
CBS P35520 1/20 0.39
THPO P40225 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 2/20 0.38
PAM P19021 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL48574 0.94
Acetic Acid SCHEMBL27458894 0.93 ALDH1A1 (0.40) ALDH1A1TSHRFFAR3PTGS1LMNA
SCHEMBL295324 0.92
SCHEMBL2769593 0.92
SCHEMBL1278135 0.92
SCHEMBL11641998 0.92
SCHEMBL2769951 0.92
Water SCHEMBL2167313 0.92
SCHEMBL2770312 0.92
SCHEMBL2771734 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006002031-A1 SUSTAINED RELEASE DOSAGE FORMS ANDRX CORPORATION (US) 2006-01-05 WO claimed
US-20050276849-A1 Sustained release dosage forms ANDRX CORPORATION 2005-12-15 US claimed
CN-115399317-A Agrochemical electrolyte compositions 禾大公司 2022-11-29 CN disclosed
CN-109641844-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2019-04-16 CN disclosed
US-20170267717-A1 Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-09-21 US disclosed
US-9504640-B2 Modified release formulations of a bupropion salt VALEANT PHARMACEUTICALS LUXEMBOURG S.Á.R.L. (LU) 2016-11-29 US disclosed
US-20150283092-A1 DRUG DELIVERY COMPOSITION ALKERMES PHARMA IRELAND LTD (IE) 2015-10-08 US disclosed
US-20150202147-A1 Modified Release Formulations Of A Bupropion Salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-07-23 US disclosed
US-8932628-B2 Modified release formulations of a bupropion salt VALEANT INTERNATIONAL BERMUDA (BM) 2015-01-13 US disclosed
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS VALEANT LABORATORIES INTERNATIONAL BERMUDA (BM) 2014-08-28 US disclosed
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS VALEANT INTERNATIONAL BERMUDA (BM) 2014-06-19 US disclosed
US-4285987-A Process for manufacturing device with dispersion zone ALZA CORPORATION (US) 1981-08-25 US disclosed
US-4256108-A Microporous-semipermeable laminated osmotic system ALZA CORPORATION (US) 1981-03-17 US disclosed
US-4200098-A Osmotic system with distribution zone for dispensing beneficial agent ALZA CORPORATION (US) 1980-04-29 US disclosed
US-4160452-A Osmotic system having laminated wall comprising semipermeable lamina and microporous lamina ALZA CORPORATION (US) 1979-07-10 US disclosed
US-4116241-A FOR CONTROLLED ORAL ADMINISTRATION OF DRUG ALZA CORPORATION (US) 1978-09-26 US disclosed
US-4077407-A POLYSACCHARIDES ALZA CORPORATION (US) 1978-03-07 US disclosed
US-4058122-A Osmotic system with laminated wall formed of different materials ALZA CORPORATION (US) 1977-11-15 US disclosed
US-4014334-A Laminated osmotic system for dispensing beneficial agent ALZA CORPORATION (US) 1977-03-29 US disclosed
US-4008719-A Osmotic system having laminar arrangement for programming delivery of active agent ALZA CORPORATION (US) 1977-02-22 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 (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-20150202147-A1 Modified Release Formulations Of A Bupropion Salt SLC6A2, SLC6A3, SLC6A11 ALDH1A1 2619/4885TSHR 1186/4885FFAR3 329/4885
US-20140170216-A1 BUPROPION HYDROBROMIDE POLYMORPHS SLC6A3, GABBR1, SLC6A2 ALDH1A1 1007/4885TSHR 3352/4885FFAR3 1644/4885
US-20170267717-A1 Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer FGB, F13B, FAP ALDH1A1 4373/4885TSHR 1183/4885FFAR3 847/4885
US-20140242063-A1 PHARMACEUTICAL COMPOSITIONS HTT, ATXN10, TTR ALDH1A1 4004/4885TSHR 117/4885FFAR3 3650/4885

“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.