Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL20299267 | 0.96 | — | — | |
| SCHEMBL11625099 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL3154825 | 0.71 | DUSP3 (0.34) | — | |
| SCHEMBL17231977 | 0.70 | — | — | |
| SCHEMBL17419523 | 0.68 | — | — | |
| SCHEMBL17419501 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL17419981 | 0.68 | PTPN1 (0.34) | — | |
| SCHEMBL17419561 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL3154372 | 0.68 | L3MBTL1 (0.36) | — | |
| SCHEMBL17419611 | 0.67 | KDM4E (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018114732-A1 | PROCESS FOR PREPARING (4S)- OR (4R)-3,4-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEX-2-ENONE | BASF SE (DE) | 2018-06-28 | — | — | WO | disclosed |
| EP-2089530-B1 | PROCESS FOR THE PREPARATION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF EMPLOYING THE AZOARCUS PHENYLETHANOL DEHYDROGENASE | BASF SE (DE) | 2010-03-03 | — | — | EP | disclosed |
| US-20100041922-A1 | METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES | BASF SE (DE) | 2010-02-18 | — | — | US | disclosed |
| EP-2142494-A1 | METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES | BASF SE (DE) | 2010-01-13 | — | — | EP | disclosed |
| US-20090325225-A1 | METHOD FOR THE PRODUCTION OF (4S)-3,4-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF | BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) | 2009-12-31 | — | — | US | disclosed |
| EP-2089530-A2 | METHOD FOR THE PRODUCTION OF (4S)-3, 4-DIHYDROXY-2,6, 6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF | BASF SE (DE) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008116714-A1 | METHOD FOR THE ENANTIOSELECTIVE PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE DERIVATIVES | BASF SE (DE) | 2008-10-02 | — | — | WO | disclosed |
| WO-2008055988-A2 | METHOD FOR THE PRODUCTION OF (4S)-3, 4-DIHYDROXY-2,6, 6-TRIMETHYL-CYCLOHEX-2-ENONE AND DERIVATIVES THEREOF USING AZOARCUS PHENYLETHANOL DEHYDROGENASE | BASF SE (DE) | 2008-05-15 | — | — | WO | disclosed |