Acetic Acid

Acetic Acid

SCHEMBL5670671

CC(=O)[O-].CC(O)C[N+](C)(C)C

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.54
TSHR P16473 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
TBXA2R P21731 1/20 0.46
MAPT P10636 3/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
GALR3 O60755 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
HRH1 P35367 1/20 0.44
CRAT P43155 1/20 0.44
LMNA P02545 2/20 0.40
CA1 P00915 2/20 0.40
CHRM5 P08912 1/20 0.40

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 SCHEMBL11505398 0.98 SLC22A16 (0.52) SLC22A16TSHRCHRM2CHRM4CHRM1
Acetic Acid SCHEMBL31405638 0.98 SLC22A16 (0.52) SLC22A16TSHRCHRM2CHRM4CHRM1
Acetic Acid SCHEMBL11505402 0.98 SLC22A16 (0.52) SLC22A16TSHRCHRM2CHRM4CHRM1
Bicarbonate SCHEMBL28323257 0.92 SLC22A16 (0.56) SLC22A16TSHRCHRM2CHRM4CHRM1
Bicarbonate SCHEMBL8320369 0.90 SLC22A16 (0.54) SLC22A16TSHRCHRM2CHRM4CHRM1
Acetic Acid SCHEMBL28210362 0.87 MAPT (0.50) SLC22A16TSHRCHRM2CHRM4CHRM1
Methacrylic Acid SCHEMBL6678142 0.87 SLC22A16 (0.47) SLC22A16TSHRCHRM2CHRM4CHRM1
Carbamic Acid SCHEMBL11505008 0.86 MAPT (0.50) SLC22A16TSHRCHRM2CHRM4CHRM1
Carbamic Acid SCHEMBL11505013 0.86 SLC22A16 (0.50) SLC22A16TSHRCHRM2CHRM4CHRM1
Propionic Acid SCHEMBL11657756 0.86 SLC22A16 (0.56) SLC22A16TSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7063154-B2 Methods of treating subterranean zones and treating fluids therefor HALLIBURTON ENERGY SERVICES, INC. (US) 2006-06-20 US claimed
US-20050039918-A1 Methods of treating subterranean zones and treating fluids therefor HALLIBURTON ENERGY SERVICES, INC. 2005-02-24 US claimed
EP-0501776-A1 Stabilization of subterranean formations HALLIBURTON COMPANY (US) 1992-09-02 EP claimed
US-5097904-A Flow control agents in enhanced oil recovery HALLIBURTON COMPANY (US) 1992-03-24 US claimed
EP-0045090-B1 URETHANE CATALYSIS AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-04 EP claimed
EP-0045090-A1 Urethane catalysis AIR PRODUCTS AND CHEMICALS, INC. (US) 1982-02-03 EP claimed
US-4286073-A Urethane catalysis AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-08-25 US claimed
CN-110172173-B Composition for reaction with isocyanate 红宝丽集团股份有限公司 2021-07-09 CN disclosed
WO-2020244371-A1 COMPOSITION USED FOR REACTING WITH ISOCYANATE 红宝丽集团股份有限公司 2020-12-10 WO disclosed
CN-111471210-A Polyurethane composition of pentane co-foaming system and preparation method of polyurethane rigid foam 南京红宝丽聚氨酯有限公司 2020-07-31 CN disclosed
CN-110172173-A A kind of composition for being reacted with isocyanates 红宝丽集团股份有限公司 2019-08-27 CN disclosed
EP-2758487-A1 MULTI-STAGE METHODS AND COMPOSITIONS FOR DESENSITIZING SUBTERRANEAN FORMATIONS FACES Halliburton Energy Services, Inc. (US) 2014-07-30 EP disclosed
WO-2013043292-A1 MULTI-STAGE METHODS AND COMPOSITIONS FOR DESENSITIZING SUBTERRANEAN FORMATIONS FACES HALLIBURTON ENERGY SERVICES, INC. (US) 2013-03-28 WO disclosed
US-5197544-A Stimulating hydrocarbon production HALLIBURTON COMPANY (US) 1993-03-30 US disclosed
EP-0501776-A1 Stabilization of subterranean formations HALLIBURTON COMPANY (US) 1992-09-02 EP disclosed
US-5097904-A Flow control agents in enhanced oil recovery HALLIBURTON COMPANY (US) 1992-03-24 US disclosed
EP-0045090-B1 URETHANE CATALYSIS AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-04 EP disclosed
EP-0045090-A1 Urethane catalysis AIR PRODUCTS AND CHEMICALS, INC. (US) 1982-02-03 EP disclosed
US-4286073-A Urethane catalysis AIR PRODUCTS AND CHEMICALS, INC. (US) 1981-08-25 US disclosed
US-4101465-A TO POLYISOCYANURATES, ALKALI METAL GLYCINE SALTS, QUATERNARY AMMONM CARBOXYLATES, ALKALI METAL SALTS OF AMIDES AND ACIDS THE UPJOHN COMPANY (US) 1978-07-18 US disclosed