Acetic Acid

Acetic Acid

SCHEMBL667791

C=C.C=CCOCC=C.CC(=O)O

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 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
FFAR3 O14843 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CA7 P43166 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 5/20 0.36
CYP3A4 P08684 1/20 0.34
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31

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 SCHEMBL27627871 0.97 FFAR3 (0.39) TDP1FFAR3LCKFYNCA1
Acetic Acid SCHEMBL131569 0.97 FFAR3 (0.39) TDP1FFAR3LCKFYNCA1
Acetic Acid SCHEMBL8953871 0.95 TDP1 (0.37) TDP1FFAR3LCKFYNCA1
Acetic Acid SCHEMBL28108198 0.90 TDP1 (0.35) TDP1FFAR3LCKFYNCA1
Acetic Acid SCHEMBL460076 0.90 TDP1 (0.35) TDP1FFAR3LCKFYNCA1
Acetone SCHEMBL28037702 0.89 ALDH1A1 (0.40) TDP1CA1CA2MEN1POLB
Sulfuric Acid SCHEMBL8521734 0.88 TDP1 (0.34) TDP1FFAR3LCKFYNCA1
Acetic Acid SCHEMBL27573061 0.86 ALDH1A1 (0.38) TDP1FFAR3LCKFYNCA1
1,3-Propanediol SCHEMBL7760174 0.86 TSHR (0.36) TDP1FFAR3LCKFYNCA1
Bicarbonate SCHEMBL1206563 0.86 CA1 (0.41) TDP1CA1CA2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1526162-B1 RECORDING INK, PROCESS FOR PRODUCING THE SAME, INK CARTRIDGE, INK-RECORDED MATTER, INK-JET RECORDER, AND METHOD OF INK-JET RECORDING RICOH CO LTD (JP) 2014-03-05 EP claimed
US-7055944-B2 Recording ink and manufacturing method thereof, ink cartridge, ink recorded matter, inkjet recording apparatus, and inkjet recording method RICOH COMPANY, LTD. (JP) 2006-06-06 US claimed
US-20050117008-A1 Recording ink and manufacturing method thereof, ink cartridge, ink recorded matter, inkjet recording apparatus, and inkjet recording method RICOH COMPANY, LTD. (JP) 2005-06-02 US claimed
EP-1526162-A1 RECORDING INK, PROCESS FOR PRODUCING THE SAME, INK CARTRIDGE, INK-RECORDED MATTER, INK-JET RECORDER, AND METHOD OF INK-JET RECORDING Ricoh Company, Ltd. (JP) 2005-04-27 EP claimed
WO-2021065045-A1 CLEANING AGENT 花王株式会社 2021-04-08 WO disclosed
WO-2021065044-A1 DETERGENT 花王株式会社 2021-04-08 WO disclosed
EP-2364850-B1 Inkjet recording apparatus and inkjet recording method RICOH CO LTD (JP) 2015-01-07 EP disclosed
EP-1526162-B1 RECORDING INK, PROCESS FOR PRODUCING THE SAME, INK CARTRIDGE, INK-RECORDED MATTER, INK-JET RECORDER, AND METHOD OF INK-JET RECORDING RICOH CO LTD (JP) 2014-03-05 EP disclosed
US-20120270142-A1 PHOTOSENSITIVE COMPOSITION AND METHOD OF MANUFACTURING A SUBSTRATE FOR A DISPLAY DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-10-25 US disclosed
EP-1524116-B1 INK-JET RECORDING APPARATUS AND INK-JET RECORDING METHOD RICOH CO LTD (JP) 2012-10-10 EP disclosed
US-8192013-B2 Inkjet recording apparatus and inkjet recording method RICOH COMPANY, LTD. (JP) 2012-06-05 US disclosed
US-20120044293-A1 INKJET RECORDING APPARATUS AND INKJET RECORDING METHOD MOROHOSHI NAOYA (JP) 2012-02-23 US disclosed
US-20050128272-A1 Inkjet recording apparatus and inkjet recording method RICOH COMPANY, LTD (JP) 2005-06-16 US disclosed
US-20050117008-A1 Recording ink and manufacturing method thereof, ink cartridge, ink recorded matter, inkjet recording apparatus, and inkjet recording method RICOH COMPANY, LTD. (JP) 2005-06-02 US disclosed
EP-1526162-A1 RECORDING INK, PROCESS FOR PRODUCING THE SAME, INK CARTRIDGE, INK-RECORDED MATTER, INK-JET RECORDER, AND METHOD OF INK-JET RECORDING Ricoh Company, Ltd. (JP) 2005-04-27 EP disclosed
EP-1526162-A1 RECORDING INK, PROCESS FOR PRODUCING THE SAME, INK CARTRIDGE, INK-RECORDED MATTER, INK-JET RECORDER, AND METHOD OF INK-JET RECORDING Ricoh Company, Ltd. (JP) 2005-04-27 EP disclosed
EP-1524116-A1 INK-JET RECORDING APPARATUS AND INK-JET RECORDING METHOD Ricoh Company, Ltd. (JP) 2005-04-20 EP disclosed
US-20050054751-A1 Ink-jet recording ink, ink-jet recording ink set, ink cartridge, ink-jet printer, and ink-jet printing method RICOH COMPANY, LTD. (JP) 2005-03-10 US disclosed
EP-1473338-A1 INK FOR INK-JET RECORDING, INK SET, INK CARTRIDGE, RECORDER, AND RECORDING METHOD Ricoh Company, Ltd. (JP) 2004-11-03 EP disclosed
JP-2002285047-A AQUIOUS RECORDING LIQUID, METHOD AND DEVICE FOR RECORDING USING THE SAME RICOH CO LTD 2002-10-03 JP disclosed