Acetic Acid

Acetic Acid

SCHEMBL7056896

CC(=O)O.Cl.[MgH2]

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 SCHEMBL11046669 1.00 FFAR3 (0.78)
Acetic Acid SCHEMBL28161441 1.00
Acetic Acid SCHEMBL28167502 1.00
Acetic Acid SCHEMBL11883703 1.00
Acetic Acid SCHEMBL28167447 0.95
Acetic Acid SCHEMBL4612469 0.95 FFAR3 (0.70)
Acetic Acid SCHEMBL10777305 0.95
Acetic Acid SCHEMBL8408563 0.95
Acetic Acid SCHEMBL19920 0.94
Acetic Acid SCHEMBL8107424 0.94 FFAR3 (0.88)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1198870-C Herbicidal mixtures exhibiting synergistic effect BAYER AG (DE) 2005-04-27 CN disclosed
CN-1174038-C Flame-resistant impact-resistant modified polycarbonate moulding materials 2004-11-03 CN disclosed
CN-1170886-C Flame-resistant polycarbonate blends 2004-10-13 CN disclosed
US-6784232-B1 CONTAIN PHOSPHONATE AMINES; BASED ON POLYCARBONATE AND GRAFT POLYMERS OF SILICONE, EP(D)M AND ACRYLATE RUBBERS AS GRAFT SUBSTRATE, WHICH HAVE EXCEPTIONAL FLAME RESISTANCE AND VERY GOOD MECHANICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2004-08-31 US disclosed
US-6727301-B1 ORGANOPHOSPHORUS COMPOUND; BISPHENOL A POLYCARBONATE, VINYL GRAFT POLYMER, POLYALKYLENE TEREPHTHALATE, AND FLUORINATED POLYOLEFIN; MECHANICAL PROPERTIES, HEAT RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
CN-1382189-A Flame-resistant polycarbonate blends BAYER AG (DE) 2002-11-27 CN disclosed
US-6433082-B1 POLYCARBONATE MOLDING COMPOSITIONS BLENDED WITH ELASTIC GRAFT POLYMERS AND POLYPHOSPHAZENES; FIREPROOF, IMPACT RESISTANCE, AND EXCELLENT SOFTENING TEMPERATURE BAYER AKTIENGESELLSCHAFT (DE) 2002-08-13 US disclosed
CN-1347431-A Flame-resistant, impact-resistant modified polycarbonate molding and extrusion masses BAYER AG (DE) 2002-05-01 CN disclosed
CN-1307447-A Herbicidal mixtures exhibiting synergistic effect BAYER AG (DE) 2001-08-08 CN disclosed
US-5580356-A TREATING WITH A CROSSLINKING AGENT AND A FLEXIBLE LINEAR POLYMER WITH TERMINAL FUNCTIONAL GROUPS COURTAULDS FIBRES (HOLDINGS) LIMITED (GB) 1996-12-03 US disclosed
CN-1119030-A Fiber treatment method COURTAULDS FIBRES DINGS LIMITE (GB) 1996-03-20 CN disclosed
EP-0688371-A1 FIBRE TREATMENT COURTAULDS FIBRES (HOLDINGS) LIMITED (GB) 1995-12-27 EP disclosed
WO-1994020656-A1 FIBRE TREATMENT COURTAULDS FIBRES (HOLDINGS) LIMITED (GB) 1994-09-15 WO disclosed
US-5274032-A Particle mixture of styrene grafted to a silicone rubber and a EPDM rubber BAYER AG (DE) 1993-12-28 US disclosed
US-5274031-A Particle mixture of styrene grafted to a silicone rubber, a rubber and an acrylic rubber BAUER AG (DE) 1993-12-28 US disclosed
US-5272205-A Polymer mixtures of high ageing resistance BAYER (DE) 1993-12-21 US disclosed
US-5104945-A From a mixture of polycarbonates and silicone rubber BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
US-5010135-A Low temperature toughness; noncracking; stress resistance BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
US-4882381-A Moulding compounds of aromatic polyesters and grafted silicone rubber BAYER AKTIENGESELLSCHAFT (DE) 1989-11-21 US disclosed
US-4806593-A BLEND OF POLYCARBONATE AND GRAFT COPOLYMER OF STYRENE POLYMER AND SILICONE RUBBER BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed