Acetic Acid

Acetic Acid

SCHEMBL5554975

C1CCCCNNNNCCC1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Gd]

nearest known ligand 0.37

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 3)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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 SCHEMBL5711032 1.00 FFAR3 (0.37) FFAR3LCKFYN
Acetic Acid SCHEMBL2090071 0.97 FFAR3 (0.39) FFAR3LCKFYN
Acetic Acid SCHEMBL1528008 0.97 FFAR3 (0.39) FFAR3LCKFYN
Acetic Acid SCHEMBL1566799 0.97 FFAR3 (0.39) FFAR3LCKFYN
Acetic Acid SCHEMBL7210352 0.92 FFAR3 (0.39) FFAR3LCKFYN
Acetic Acid SCHEMBL7531107 0.92 FFAR3 (0.39) FFAR3LCKFYN
Acetic Acid SCHEMBL3991283 0.92 FFAR3 (0.39) FFAR3LCKFYN
Glutarate SCHEMBL25260627 0.83 SLC22A6 (0.44)
Acetic Acid SCHEMBL5711030 0.82 CA1 (0.40)
Acetic Acid SCHEMBL5554974 0.82 CA1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318845-B1 HYDROPHILIC, LUBRICIOUS MEDICAL DEVICES HAVING CONTRAST FOR MAGNETIC RESONANCE IMAGING UNION CARBIDE CHEM PLASTIC (US) 2006-12-20 EP claimed
US-6949266-B2 Hydrophilic, lubricious medical devices having contrast for magnetic resonance imaging UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-09-27 US claimed
US-20040058082-A1 Hydrophilic, lubricious medical devices having contrast for magnetic resonance imaging UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2004-03-25 US claimed
EP-1318845-A1 HYDROPHILIC, LUBRICIOUS MEDICAL DEVICES HAVING CONTRAST FOR MAGNETIC RESONANCE IMAGING UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-06-18 EP claimed
WO-2002022186-A1 HYDROPHILIC, LUBRICIOUS MEDICAL DEVICES HAVING CONTRAST FOR MAGNETIC RESONANCE IMAGING UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-03-21 WO claimed
CN-110914416-B Microorganism and method for producing cannabinoids and cannabinoid derivatives 加州大学董事会 2023-07-21 CN disclosed
CN-115038786-A Optimized tetrahydrocannabinolic acid (THCA) synthase polypeptides 德美崔克斯公司 2022-09-09 CN disclosed
CN-114729337-A Optimized cannabinoid synthase polypeptides 德美崔克斯公司 2022-07-08 CN disclosed
CN-113230257-A Nanomaterial compositions, synthesis, and assembly 罗得岛医院 2021-08-10 CN disclosed
CN-107206005-B Nanomaterial compositions, synthesis, and assembly 罗得岛医院 2021-05-04 CN disclosed
CN-110914416-A Microorganisms and methods for producing cannabinoids and cannabinoid derivatives 加州大学董事会 2020-03-24 CN disclosed
US-7208138-B2 Contrast enhancement agent for magnetic resonance imaging DUKE UNIVERSITY (US) 2007-04-24 US disclosed
US-6949266-B2 Hydrophilic, lubricious medical devices having contrast for magnetic resonance imaging UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-09-27 US disclosed
EP-1379885-A4 CONTRAST ENHANCEMENT AGENT FOR MAGNETIC RESONANCE IMAGING UNIV DUKE (US) 2005-07-06 EP disclosed
US-20040058082-A1 Hydrophilic, lubricious medical devices having contrast for magnetic resonance imaging UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2004-03-25 US disclosed
EP-1379885-A2 CONTRAST ENHANCEMENT AGENT FOR MAGNETIC RESONANCE IMAGING Duke University (US) 2004-01-14 EP disclosed
EP-1318845-A1 HYDROPHILIC, LUBRICIOUS MEDICAL DEVICES HAVING CONTRAST FOR MAGNETIC RESONANCE IMAGING UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2003-06-18 EP disclosed
US-20020136692-A1 Contrast enhancement agent for magnetic resonance imaging DUKE UNIVERSITY 2002-09-26 US disclosed
WO-2002054088-A2 CONTRAST ENHANCEMENT AGENT FOR MAGNETIC RESONANCE IMAGING DUKE UNIVERSITY (US) 2002-07-11 WO disclosed
WO-2002022186-A1 HYDROPHILIC, LUBRICIOUS MEDICAL DEVICES HAVING CONTRAST FOR MAGNETIC RESONANCE IMAGING UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-03-21 WO disclosed