Acetic Acid

Acetic Acid

SCHEMBL6137282

CC(=O)[O-].[Ca+2].[Cl-]

nearest known ligand 0.00

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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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL10955029 1.00 CA1 (0.80)
Acetic Acid SCHEMBL1986019 1.00 CA1 (0.80)
Acetic Acid SCHEMBL10956871 0.95 CA1 (0.73)
Acetic Acid SCHEMBL1987748 0.95 CA1 (0.82)
Acetic Acid SCHEMBL18529905 0.95 CA1 (0.73)
Acetic Acid SCHEMBL10777299 0.95 CA1 (0.73)
Acetic Acid SCHEMBL449428 0.95 CA1 (0.82)
Acetic Acid SCHEMBL2407889 0.95 CA1 (0.89)
Acetic Acid SCHEMBL23872 0.95
Acetic Acid SCHEMBL586756 0.95 CA1 (0.89)

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
EP-3099760-A1 HALOGEN-FREE SOLID FLAME RETARDANT MIXTURE AND USE THEREOF Clariant International Ltd (CH) 2016-12-07 EP claimed
US-20160340588-A1 Halogen-Free Solid Flame Retardant Mixture And Use Thereof CLARIANT INTERNATIONAL LTD. (CH) 2016-11-24 US claimed
WO-2015113740-A1 HALOGEN-FREE SOLID FLAME RETARDANT MIXTURE AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2015-08-06 WO claimed
US-4673519-A Low-energy process for the manufacture of calcium/magnesium acetate-chloride deicers and freezing point depressants GANCY ALAN B 1987-06-16 US claimed
US-4511485-A Nonpolluting salts and method of making same GANCY ALAN B 1985-04-16 US claimed
CN-111718688-B Environment-friendly snow-melting agent and production method thereof 宁波环洋新材料股份有限公司 2021-04-09 CN disclosed
CN-111718688-A Environment-friendly snow-melting agent and production method thereof 宁波环洋新材料股份有限公司 2020-09-29 CN disclosed
EP-3099760-A1 HALOGEN-FREE SOLID FLAME RETARDANT MIXTURE AND USE THEREOF Clariant International Ltd (CH) 2016-12-07 EP disclosed
US-20160340588-A1 Halogen-Free Solid Flame Retardant Mixture And Use Thereof CLARIANT INTERNATIONAL LTD. (CH) 2016-11-24 US disclosed
WO-2015113740-A1 HALOGEN-FREE SOLID FLAME RETARDANT MIXTURE AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2015-08-06 WO disclosed
CN-101735634-A Microgel latex with modified hydroxyl group and a property of stable storage LANXESS DEUTSCHLAND GMBH 2010-06-16 CN disclosed
US-20050197501-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES LTD. 2005-09-08 US disclosed
US-20040176615-A1 Processes for preparing calcium salt forms of statins NIDDAM-HILDESHEIM VALERIE (IL) 2004-09-09 US disclosed
US-6777552-B2 FROM AN ESTER DERIVATIVE OR PROTECTED ESTER DERIVATIVE OF THE STATIN BY USING CALCIUM HYDROXIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-08-17 US disclosed
EP-1425287-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-09 EP disclosed
US-20030114685-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-06-19 US disclosed
WO-2003016317-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-02-27 WO disclosed
CN-1353194-A Process for preparing 20% dextral glycoanhydride iron YANG MIN (CN) 2002-06-12 CN disclosed
US-4673519-A Low-energy process for the manufacture of calcium/magnesium acetate-chloride deicers and freezing point depressants GANCY ALAN B 1987-06-16 US disclosed
US-4511485-A Nonpolluting salts and method of making same GANCY ALAN B 1985-04-16 US disclosed