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.
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 SCHEMBL28993808 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL9564747 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL4449017 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL1050321 | 0.94 | — | — | |
| Acetic Acid SCHEMBL712 | 0.94 | — | — | |
| Acetic Acid SCHEMBL8328631 | 0.94 | — | — | |
| Acetic Acid SCHEMBL1230066 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL8733357 | 0.94 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL8733353 | 0.94 | — | — | |
| Acetic Acid SCHEMBL3432477 | 0.94 | FFAR3 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109535164-A | JAK kinase inhibitor, preparation method thereof and application thereof in medical field | 上海华汇拓医药科技有限公司 | 2019-03-29 | — | — | CN | claimed |
| US-6103867-A | METAL COMPLEX MIXED WITH LEWIS AND/OR PROTIC ACIDS; SIMPLIFICATION, EFFICIENCY, HALOGEN-FREE STARTING MATERIALS | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |
| CN-1046218-C | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 1999-11-10 | — | — | CN | disclosed |
| CN-1088851-A | The catalyst system that the carbonylation of acetylenically unsaturated compound is used | SHELL INT RESEARCH (NL) | 1994-07-06 | — | — | CN | disclosed |
| CN-1024658-C | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INT RESEARCH (NL) | 1994-05-25 | — | — | CN | disclosed |
| US-4960926-A | Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst | SHELL OIL COMPANY (US) | 1990-10-02 | — | — | US | disclosed |
| CN-87107279-A | Process for the carbonylation of acetylenically unsaturated compounds | — | 1988-06-15 | — | — | CN | disclosed |