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 SCHEMBL7114741 | 0.82 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL31317587 | 0.82 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL829691 | 0.82 | FFAR3 (0.50) | — | |
| SCHEMBL17480237 | 0.82 | — | — | |
| SCHEMBL62892 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL51439 | 0.78 | — | — | |
| Acetic Acid SCHEMBL29210800 | 0.78 | PAOX (0.39) | — | |
| Acetic Acid SCHEMBL16792629 | 0.78 | — | — | |
| Acetic Acid SCHEMBL7118916 | 0.78 | PAOX (0.39) | — | |
| Acetic Acid SCHEMBL1832152 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8362240-B2 | Taxol derivatives with antitumor activity | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2013-01-29 | — | — | US | disclosed |
| US-20100168420-A1 | Taxol Derivatives With Antitumor Activity | SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) | 2010-07-01 | — | — | US | disclosed |
| CN-100516067-C | Taxad phenol derivate with anti-tumor activity | SHANGHAI HENGRUI PHARM CO LTD (CN) | 2009-07-22 | — | — | CN | disclosed |
| EP-1980562-A1 | TAXOL DERIVATIVES WITH ANTITUMOR ACTIVITY | Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) | 2008-10-15 | — | — | EP | disclosed |
| CN-100999524-A | Taxad phenol derivate with anti-tumor activity | HENGRUI PHARMACEUTICAL CO LTD (CN) | 2007-07-18 | — | — | CN | disclosed |