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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9295256 | 1.00 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL5999260 | 1.00 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL2467666 | 0.98 | CES1 (0.41) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL30425380 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL27854330 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL17818201 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL11678287 | 0.95 | CES1 (0.42) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL15570641 | 0.93 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL15572988 | 0.93 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL15572927 | 0.93 | CES1 (0.46) | CES1CA1CES2FFAR3HDAC3 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113620990-B | Thiourea type nitrogen phosphine ligand and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | claimed |
| CN-113620990-A | Thiourea type nitrogen phosphine ligand and preparation method and application thereof | 万华化学集团股份有限公司 | 2021-11-09 | — | — | CN | claimed |
| CN-119977744-A | Preparation method of 2, 7-octadienyl compound | 中国天辰工程有限公司 | 2025-05-13 | — | — | CN | disclosed |
| CN-113620990-B | Thiourea type nitrogen phosphine ligand and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-113620990-A | Thiourea type nitrogen phosphine ligand and preparation method and application thereof | 万华化学集团股份有限公司 | 2021-11-09 | — | — | CN | disclosed |
| US-11021499-B2 | Bis(6-methyl-3-sulphophenyl)(2-methylphenyl)phosphine, ammonium salt thereof, and method for producing same | KURARAY CO., LTD. (JP) | 2021-06-01 | — | — | US | disclosed |
| US-10696701-B2 | Bis(6-methyl-3-sulphophenyl)phenylphosphine, ammonium salt thereof, and method for producing same | KURARAY CO., LTD. (JP) | 2020-06-30 | — | — | US | disclosed |
| US-20190071460-A1 | BIS(6-METHYL-3-SULPHOPHENYL)(2-METHYLPHENYL)PHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME | HONDA ERIKO (JP) | 2019-03-07 | — | — | US | disclosed |
| EP-2980093-B1 | BIS(6-METHYL-3-SULPHOPHENYL)(2-METHYLPHENYL)PHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME | KURARAY CO (JP) | 2019-01-09 | — | — | EP | disclosed |
| US-20180141967-A1 | BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME | KURARAY CO., LTD. (JP) | 2018-05-24 | — | — | US | disclosed |
| EP-2980092-B1 | BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME | KURARAY CO (JP) | 2017-10-04 | — | — | EP | disclosed |
| EP-2980092-A1 | BIS(6-METHYL-3-SULPHOPHENYL)PHENYLPHOSPHINE, AMMONIUM SALT THEREOF, AND METHOD FOR PRODUCING SAME | Kuraray Co., Ltd. (JP) | 2016-02-03 | — | — | EP | disclosed |
| US-5712403-A | CATALYST | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-01-27 | — | — | US | disclosed |
| US-5600032-A | OLIGOMERIZATION OF A CONJUGATED ALKADIENE IN PRESENCE OFPALLADIUM, PHOSPHORUS COMPLEX | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-02-04 | — | — | US | disclosed |
| US-5583271-A | Method for continuously producing alkadienols | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0361304-B1 | Method for producing alkadienols | MITSUBISHI CHEM CORP (JP) | 1996-02-21 | — | — | EP | disclosed |
| US-5306835-A | Bis(phosphine)palladium complex; catalyst for the dimerization hydration reaction of 1,3-butadiene and water to octadienols | MITSUBISHI KASEI CORPORATION (JP) | 1994-04-26 | — | — | US | disclosed |
| US-5283377-A | Reacting butadiene/1,3-/ and water in the presence of a palladium compound, carbon dioxide and a triphenyl phsophine with electron donative substitutents | MITSUBISHI KASEI CORPORATION (JP) | 1994-02-01 | — | — | US | disclosed |
| US-4990698-A | Method for producing alkadienols | MITSUBISHI KASEI CORPORATION (JP) | 1991-02-05 | — | — | US | disclosed |
| EP-0361304-A2 | Method for producing alkadienols | Mitsubishi Chemical Corporation (JP) | 1990-04-04 | — | — | EP | disclosed |