Acetic Acid

Acetic Acid

SCHEMBL1469783

CC#N.CC(=O)[O-].CC(=O)[O-].CC(C)P(C(C)C)C(C)C.CC(C)P(C(C)C)C(C)C.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Pd+2]

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 SCHEMBL1714983 1.00 — —
Acetic Acid SCHEMBL30577413 0.92 CA1 (0.31) —
Acetonitrile SCHEMBL3267900 0.88 — —
Acetic Acid SCHEMBL985917 0.82 CA1 (0.38) —
Acetic Acid SCHEMBL3783936 0.79 FFAR3 (0.30) —
Acetic Acid SCHEMBL6353845 0.78 — —
SCHEMBL30577408 0.76 — —
Acetonitrile SCHEMBL985628 0.74 — —
Acetonitrile SCHEMBL30588827 0.74 — —
Acetic Acid SCHEMBL948383 0.72 CA1 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328179-B2 Water soluble norbornene-type polymers and photoimageable compositions thereof PROMERUS, LLC (US) 2016-05-03 — — US claimed
US-20140349233-A1 WATER SOLUBLE NORBORNENE-TYPE POLYMERS AND PHOTOIMAGEABLE COMPOSITIONS THEREOF SUMITOMO BAKELITE CO., LTD. (JP) 2014-11-27 — — US claimed
EP-1973583-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES Centre National de la Recherche Scientifique (FR) 2008-10-01 — — EP claimed
WO-2007080291-A1 PREPARATION OF AN INORGANIC SUBSTRATE HAVING ANTIMICROBIAL PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-07-19 — — WO claimed
US-9328179-B2 Water soluble norbornene-type polymers and photoimageable compositions thereof PROMERUS, LLC (US) 2016-05-03 — — US disclosed
US-8986923-B2 Aqueous base-developable negative-tone films based on functionalized norbornene polymers PROMERUS, LLC (US) 2015-03-24 — — US disclosed
US-20140349233-A1 WATER SOLUBLE NORBORNENE-TYPE POLYMERS AND PHOTOIMAGEABLE COMPOSITIONS THEREOF SUMITOMO BAKELITE CO., LTD. (JP) 2014-11-27 — — US disclosed
US-8765893-B2 Norbornene-type polymers having quaternary ammonium functionality PROMERUS, LLC (US) 2014-07-01 — — US disclosed
US-20140038112-A1 AQUEOUS BASE-DEVELOPABLE NEGATIVE-TONE FILMS BASED ON FUNCTIONALIZED NORBORNENE POLYMERS PROMERUS, LLC (US) 2014-02-06 — — US disclosed
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 — — US disclosed
US-20120316176-A1 DERIVATIVES OF 7,8-DIHYDRO-1H-IMIDAZO[2,1-b] PURIN-4(5H)-ONE and METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-12-13 — — US disclosed
EP-1853972-B1 NORBORNENE-TYPE POLYMERS AND THEIR MANUFACTURE PROCESS PROMERUS LLC (US) 2011-07-20 — — EP disclosed
EP-2031007-A2 Norbornene-type polymers, compositions thereof and lithographic processes using such compositions Promerus LLC (US) 2009-03-04 — — EP disclosed
EP-1730773-B1 POLYMERS OF POLYCYCLIC OLEFINS HAVING A POLYHEDRAL OLIGOSILSESQUIOXANE PENDANT GROUP AND USES THEREOF PROMERUS LLC (US) 2008-09-24 — — EP disclosed
US-20080124651-A1 Method of controlling the differential dissolution rate of photoresist compositions, polycyclic olefin polymers and monomers used for making such polymers INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-05-29 — — US disclosed
EP-1730773-A1 POLYMERS OF POLYCYCLIC OLEFINS HAVING A POLYHEDRAL OLIGOSILSESQUIOXANE PENDANT GROUP AND USES THEREOF Promerus, LLC (US) 2006-12-13 — — EP disclosed
US-20060234164-A1 copolymerizing norbornene monomers containing ester groups, sulonamide groups, ethers, alcohols in presence of (Acetonitrile) bis(triisopropylphosphine)palladium(acetate) tetrakis (pentafluorophenyl)borate catalyst and an optional cocatalyst lithium tetrakis(pentafluorophenyl)borate diethyl etherate PROMERUS LLC (US) 2006-10-19 — — US disclosed
WO-2006091802-A2 NORBORNENE-TYPE POLYMERS, COMPOSITIONS THEREOF AND LITHOGRAPHIC PROCESSES USING SUCH COMPOSITIONS PROMERUS LLC (US) 2006-08-31 — — WO disclosed
WO-2005081306-A1 POLYMERS OF POLYCYCLIC OLEFINS HAVING A POLYHEDRAL OLIGOSILSESQUIOXANE PENDANT GROUP AND USES THEREOF PROMERUS, LLC (US) 2005-09-01 — — WO disclosed
US-20050192409-A1 Polymers of polycyclic olefins having a polyhedral oligosilsesquioxane pendant group and uses thereof PROMERUS, LLC 2005-09-01 — — US disclosed
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