Acetic Acid

Acetic Acid

SCHEMBL7053062

CC(=O)[O-].CC(=O)[O-].CC[P+](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1.CC[P+](c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.40

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 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GSK3B P49841 1/20 0.35
POLB P06746 1/20 0.35
STAT3 P40763 1/20 0.35
ACHE P22303 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34

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 SCHEMBL2170900 1.00 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2CES2CES1
Acetic Acid SCHEMBL6755875 0.96 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2CES2CES1
Succinic Acid SCHEMBL1704049 0.89 CA1 (0.38) ALDH1A1LMNASMN1; SMN2CES2CES1
Acetic Acid SCHEMBL9067963 0.85 SLC6A4 (0.38) ALDH1A1LMNASMN1; SMN2CES2CES1
Iodide SCHEMBL7192916 0.83 ACHE (0.42) ALDH1A1LMNASMN1; SMN2TDP1ACHE
Bromide SCHEMBL5074601 0.83 ACHE (0.42) ALDH1A1LMNASMN1; SMN2TDP1ACHE
Hydrochloric Acid SCHEMBL7196441 0.83 ACHE (0.42) ALDH1A1LMNASMN1; SMN2TDP1ACHE
Phosphoric Acid SCHEMBL7193240 0.82 LMNA (0.40) ALDH1A1LMNATDP1ACHETSHR
Acetic Acid SCHEMBL328882 0.82 TSHR (0.48) ALDH1A1LMNASMN1; SMN2CES2CES1
Acetic Acid SCHEMBL133341 0.82 TSHR (0.48) ALDH1A1LMNASMN1; SMN2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP claimed
US-5360886-A Alklyphenylphosphine or phosphonium catalyst THE DOW CHEMICAL COMPANY (US) 1994-11-01 US claimed
US-5310853-A Epoxy resins THE DOW CHEMICAL COMPANY (US) 1994-05-10 US claimed
EP-3017001-B1 CURABLE COMPOSITION AND PROCESS FOR THE MANUFACTURE OF AN EPOXY THERMOSET RHODIA OPERATIONS (FR) 2019-06-19 EP disclosed
US-10077332-B2 Curable composition and process for the manufacture of an epoxy thermoset RHODIA OPERATIONS (FR) 2018-09-18 US disclosed
US-20160152764-A1 Curable composition and process for the manufacture of an epoxy thermoset SPECIALTY OPERATIONS FRANCE (FR) 2016-06-02 US disclosed
EP-3017001-A1 CURABLE COMPOSITION AND PROCESS FOR THE MANUFACTURE OF AN EPOXY THERMOSET Rhodia Operations (FR) 2016-05-11 EP disclosed
EP-2829570-A1 Curable composition and process for the manufacture of an epoxy thermoset Rhodia Operations (FR) 2015-01-28 EP disclosed
WO-2015001061-A1 CURABLE COMPOSITION AND PROCESS FOR THE MANUFACTURE OF AN EPOXY THERMOSET RHODIA OPERATIONS (FR) 2015-01-08 WO disclosed
EP-1307497-A2 EPOXY RESINS AND PROCESS FOR MAKING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2003-05-07 EP disclosed
EP-0624173-B2 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 2003-04-09 EP disclosed
WO-2002000755-A2 EPOXY RESING AND PROCESS FOR MAKING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2002-01-03 WO disclosed
EP-0624173-B1 PRECATALYZED CATALYST COMPOSITIONS, PROCESS FOR PREPARING RESINS DOW CHEMICAL CO (US) 1997-04-02 EP disclosed
US-5360886-A Alklyphenylphosphine or phosphonium catalyst THE DOW CHEMICAL COMPANY (US) 1994-11-01 US disclosed
US-5310853-A Epoxy resins THE DOW CHEMICAL COMPANY (US) 1994-05-10 US disclosed
US-5202407-A Phosphonium or phosphine catalyst having at least three alkylphenyl groups attached to phosphorus atom THE DOW CHEMICAL COMPANY (US) 1993-04-13 US disclosed