Acetic Acid

Acetic Acid

SCHEMBL869491

CC(=O)O.OCC1CC2C=CC1C2

nearest known ligand 0.46

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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.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.46
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.41
PKM P14618 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.37
EPHX2 P34913 2/20 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
Methacrylic Acid SCHEMBL2036670 0.90 KDM4E (0.45) KDM4EALDH1A1TDP1PKMMAPT
Methacrylic Acid SCHEMBL5066177 0.90 KDM4E (0.45) KDM4EALDH1A1TDP1PKMMAPT
Acetoacetic Acid SCHEMBL8751811 0.88 KDM4E (0.41) KDM4EALDH1A1TDP1PKMMAPT
Methyl Alcohol SCHEMBL4666816 0.88 KDM4E (0.47) KDM4EALDH1A1TDP1PKMMAPT
SCHEMBL1809220 0.88
SCHEMBL1809222 0.88
SCHEMBL9473130 0.88
SCHEMBL20721709 0.88
SCHEMBL16898634 0.88
SCHEMBL14857813 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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470944-B2 Polynorbornene pervaporation membrane films, preparation and use thereof PROMERUS, LLC (US) 2013-06-25 US claimed
US-20120283404-A1 Polynorbornene Pervaporation Membrane Films, Preparation and Use Thereof PROMERUS LLC (US) 2012-11-08 US claimed
JP-4722828-B2 2011-07-13 JP claimed
EP-1597287-B1 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF PROMERUS LLC (US) 2010-05-05 EP claimed
US-7674847-B2 Vinyl addition polycyclic olefin polymers prepared with non-olefinic chain transfer agents and uses thereof PROMERUS LLC (US) 2010-03-09 US claimed
EP-1597287-A4 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF PROMERUS LLC (US) 2008-12-17 EP claimed
US-20070066775-A1 Vinyl addition polycylic olefin polymers prepared using non-olefinic chain transfer agents and uses thereof PROMERUS LLC (US) 2007-03-22 US claimed
EP-1597287-A2 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF Promerus LLC (US) 2005-11-23 EP claimed
US-20050192409-A1 Polymers of polycyclic olefins having a polyhedral oligosilsesquioxane pendant group and uses thereof PROMERUS, LLC 2005-09-01 US claimed
US-20040229157-A1 Vinyl addition polycyclic olefin polymers prepared with non-olefinic chain transfer agents and uses thereof PROMERUS LLC 2004-11-18 US claimed
WO-2004076495-A2 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF PROMERUS LLC (US) 2004-09-10 WO claimed
US-RE35717-E NONPOLAR AND POLAR CYCLOOLEFINS, ACTIVATOR AND CATALYST, HIGH MODULUS AND IMPACT STRENGTH METTON AMERICA, INC. (US) 1998-01-20 US claimed
US-4689380-A DICYCLOPENTADIENE-NORBORNENE ESTER, TUNGSTEN CATALYST, ALUMINUM ACTIVATOR HERCULES INCORPORATED (US) 1987-08-25 US claimed
US-9261781-B2 Preparation of norbornane-based PAC ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2016-02-16 US disclosed
US-8753790-B2 Self-imageable film forming polymer, compositions thereof and devices and structures made therefrom PROMERUS, LLC (US) 2014-06-17 US disclosed
US-8748074-B2 Self-imageable film forming polymer, compositions thereof and devices and structures made therefrom PROMERUS, LLC (US) 2014-06-10 US disclosed
US-4598102-A DIALKYULAUMINUM OIDIDE ACTIVATOR HERCULES INCORPORATED (US) 1986-07-01 US disclosed
EP-0181640-A1 Copolymers of dicyclopentadiene HERCULES INCORPORATED (US) 1986-05-21 EP disclosed
US-4584425-A DISTILLING CYCLOOLEFIN, THEN CONTACTING WITH ADSORBENT, POLYMERIZING WITH METATHESIS CATALYST HERCULES INCORPORATED (US) 1986-04-22 US disclosed
US-4568660-A TUNGSTEN CHLORIDE CONTAINING COMPOUND AND PHENOL COMPOUND HERCULES INCORPORATED (US) 1986-02-04 US disclosed