Acetic Acid

Acetic Acid

SCHEMBL2677935

C1=C\CCCC\C=C/1.CC(=O)O.[Rh]

nearest known ligand 0.39

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 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39

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 SCHEMBL27489298 1.00 FFAR3 (0.39) FFAR3LCKFYN
Acetone SCHEMBL28142527 0.86 LMNA (0.35)
Acetic Acid SCHEMBL27996833 0.85 FFAR3 (0.32) FFAR3LCKFYN
Bicarbonate SCHEMBL5709305 0.85 CA1 (0.33)
Cyclohexene SCHEMBL23409884 0.85 FFAR3 (0.47) FFAR3LCKFYN
Cyclohexene SCHEMBL3138151 0.85 FFAR3 (0.47) FFAR3LCKFYN
Acetic Acid SCHEMBL27640863 0.85 FFAR3 (0.47) FFAR3LCKFYN
Cyclohexene SCHEMBL7152357 0.82 FFAR3 (0.44) FFAR3LCKFYN
Acetic Acid SCHEMBL4983972 0.82 FFAR3 (0.44) FFAR3LCKFYN
Acetic Acid SCHEMBL4983986 0.82 FFAR3 (0.44) FFAR3LCKFYN

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
US-5442015-A Aldehyde-telechelic polyisobutylenes, catalytic method for preparing the same with high conversion and selectivity, and block copolymers made therefrom THE UNIVERSITY OF AKRON 1995-08-15 US claimed
US-5340881-A Aldehyde-telechelic polyisobutylenes, catalytic method for preparing the same with high conversion and selectivity, and block copolymers made thereform THE UNIVERSITY OF AKRON (US) 1994-08-23 US claimed
US-11225498-B2 Preparation of rhodium(III)-2-ethylhexanoate UMICORE AG & CO. KG 2022-01-18 US disclosed
EP-3317243-B1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE UMICORE AG & CO KG (DE) 2020-04-29 EP disclosed
US-20200087333-A1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE UMICORE AG & CO KG (DE) 2020-03-19 US disclosed
US-10584142-B2 Preparation of Rhodium(III)-2-ethylhexanoate UMICORE AG & CO. KG (DE) 2020-03-10 US disclosed
US-20180170952-A1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE UMICORE AG & CO. KG (DE) 2018-06-21 US disclosed
EP-3317243-A1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE Umicore AG & Co. KG (DE) 2018-05-09 EP disclosed
WO-2017001647-A1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE UMICORE AG & CO. KG (DE) 2017-01-05 WO disclosed
CN-101855193-B Method for production of aldehydes OXEA DEUTSCHLAND GMBH 2013-12-25 CN disclosed
US-8173847-B2 Method for the production of aldehydes OXEA GMBH (DE) 2012-05-08 US disclosed
US-20100256422-A1 METHOD FOR THE PRODUCTION OF ALDEHYDES OQ CHEMICALS GMBH (DE) 2010-10-07 US disclosed
CN-101855193-A The method for preparing aldehyde OXEA DEUTSCHLAND GMBH 2010-10-06 CN disclosed
CN-1139566-C Method for prodn. of aldehydes �����ɷ� 2004-02-25 CN disclosed
US-6225507-B1 WITH WATER SOLUBLE CHELATING POLYMER, CARBONYLATION OF THE RHODIUM EXTRACT BASF AKTIENGESELLSCHAFT (DE) 2001-05-01 US disclosed
CN-1288455-A Method for prodn. of aldehydes BASF AG (DE) 2001-03-21 CN disclosed
US-6107524-A Process for producing aldehydes by hydroformylation of olefins BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
US-5723680-A Preparation of aldehydes BASF AKTIENGESELLSCHAFT (DE) 1998-03-03 US disclosed
US-5442015-A Aldehyde-telechelic polyisobutylenes, catalytic method for preparing the same with high conversion and selectivity, and block copolymers made therefrom THE UNIVERSITY OF AKRON 1995-08-15 US disclosed
US-5340881-A Aldehyde-telechelic polyisobutylenes, catalytic method for preparing the same with high conversion and selectivity, and block copolymers made thereform THE UNIVERSITY OF AKRON (US) 1994-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180170952-A1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE ADH5, ADH1C, ADH1A FFAR3 188/4885LCK 2299/4885FYN 4011/4885
US-11225498-B2 Preparation of rhodium(III)-2-ethylhexanoate ADH5, ADH1C, ADH1A FFAR3 188/4885LCK 2299/4885FYN 4011/4885
US-10584142-B2 Preparation of Rhodium(III)-2-ethylhexanoate ADH5, ADH1C, ADH1A FFAR3 188/4885LCK 2299/4885FYN 4011/4885
US-20200087333-A1 PREPARATION OF RHODIUM(III)-2-ETHYLHEXANOATE ADH5, ADH1C, ADH1A FFAR3 188/4885LCK 2299/4885FYN 4011/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.