Acetic Acid

Acetic Acid

SCHEMBL7224260

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

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 SCHEMBL27530797 1.00 CA5A (0.57)
Acetic Acid SCHEMBL28214601 0.97 CA5A (0.53)
Acetic Acid SCHEMBL27354757 0.97 CA5A (0.53)
Acetic Acid SCHEMBL3457294 0.96 CA5A (0.61)
Acetic Acid SCHEMBL78900 0.96
Acetic Acid SCHEMBL8350356 0.96 CA5A (0.61)
Acetic Acid SCHEMBL7667976 0.96 CA5A (0.61)
Acetic Acid SCHEMBL28587428 0.96 CA5A (0.61)
Acetic Acid SCHEMBL10481221 0.93 CA5A (0.57)
Acetic Acid SCHEMBL17312003 0.93 CA5A (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118207415-A Composite tertiary amine salt leaching agent suitable for leaching mineralization of calcium-containing solid waste to produce high-purity nano calcium carbonate and preparation method thereof 中国矿业大学 2024-06-18 CN claimed
CN-115106070-A Preparation method and application of spherical silica gel chromatographic packing with different particle sizes 南通裕弘分析仪器有限公司 2022-09-27 CN claimed
CN-118207415-A Composite tertiary amine salt leaching agent suitable for leaching mineralization of calcium-containing solid waste to produce high-purity nano calcium carbonate and preparation method thereof 中国矿业大学 2024-06-18 CN disclosed
CN-115106070-A Preparation method and application of spherical silica gel chromatographic packing with different particle sizes 南通裕弘分析仪器有限公司 2022-09-27 CN disclosed
CN-103275333-A Like-humic acid substance extracted from crop straw and preparation method of compound fertilizer thereof SUZHOU POLYTECHNIC INST AGRI 2013-09-04 CN disclosed
CN-100519843-C Composite etchant for 409L ferritic stainless steel and use method thereof BAOSHAN IRON & STEEL (CN) 2009-07-29 CN disclosed
CN-101275229-A Composite etchant for 409L ferritic stainless steel and use method thereof BAOSHAN IRON & STEEL (CN) 2008-10-01 CN disclosed
CN-101265362-A Method for processing function-stable metal organic composite material UNIV QUFU NORMAL (CN) 2008-09-17 CN disclosed
US-6631022-B1 Electrode having indium doped tin oxide; plurality of insulation layers comprised of silicon compound, metal compound, and polymer SONY CORPORATION (JP) 2003-10-07 US disclosed
US-3937970-A Optically-transparent radiation-shielding composition Bolles, Theodore F. (US) 1976-02-10 US disclosed