Acetic Acid

Acetic Acid

SCHEMBL876317

CC(=O)O.CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

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 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.88
CHAT P28329 2/20 0.82
EP300 Q09472 3/20 0.81
KAT5 Q92993 2/20 0.81
AURKA O14965 1/20 0.81
KAT2B Q92831 1/20 0.81
CREBBP Q92793 1/20 0.74

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
Benzene SCHEMBL27562050 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL25252 0.98 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27571436 0.98 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL502465 0.98 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL26116845 0.98 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL27877871 0.98 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL4368641 0.98 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
Pyruvate SCHEMBL15821661 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
Pyruvate SCHEMBL20838940 0.98 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
Charcoal, Activated SCHEMBL1644250 0.98 NAA50 (0.88) NAA50CHATEP300KAT5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845973-B2 Poly(3-hydroxypropionate-b-lactate) block copolymer using microorganisms LG CHEM, LTD. (KR) 2023-12-19 US disclosed
US-20200270649-A1 POLY(3-HYDROXYPROPIONATE-B-LACTATE) BLOCK COPOLYMER USING MICROORGANISMS LG CHEM, LTD. (KR) 2020-08-27 US disclosed
US-9340803-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2016-05-17 US disclosed
US-8999700-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2015-04-07 US disclosed
US-20140302574-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED (US) 2014-10-09 US disclosed
US-8822197-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2014-09-02 US disclosed
US-8759059-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2014-06-24 US disclosed
US-20130323808-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED (US) 2013-12-05 US disclosed
US-20130323772-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED (US) 2013-12-05 US disclosed
US-20130323807-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED (US) 2013-12-05 US disclosed
US-20120244586-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED 2012-09-27 US disclosed
US-8198066-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2012-06-12 US disclosed
US-20120077236-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED 2012-03-29 US disclosed
US-7638316-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2009-12-29 US disclosed
US-20090053783-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED 2009-02-26 US disclosed
US-7393676-B2 3-Hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2008-07-01 US disclosed
US-20080076167-A1 Culturing cell comprising exogenous nucleic acid molecule encoding polypeptide capable of producing 3-hydroxypropionic acid from phosphoenolpyruvate (PEP), pyruvate, or lactate CARGILL, INCORPORATED 2008-03-27 US disclosed
US-20070184524-A1 3-HYDROXYPROPIONIC ACID AND OTHER ORGANIC COMPOUNDS CARGILL, INCORPORATED 2007-08-09 US disclosed
US-7186541-B2 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED (US) 2007-03-06 US disclosed
US-20040076982-A1 3-hydroxypropionic acid and other organic compounds CARGILL, INCORPORATED 2004-04-22 US disclosed