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 | |
|---|---|---|---|---|
| SCHEMBL5318860 | 0.95 | — | — | |
| Lithium Ion SCHEMBL1187855 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL411682 | 0.86 | — | — | |
| Bromide SCHEMBL6466104 | 0.86 | — | — | |
| Iodide SCHEMBL6470410 | 0.86 | — | — | |
| SCHEMBL11654893 | 0.78 | — | — | |
| SCHEMBL11781861 | 0.68 | — | — | |
| Ether SCHEMBL7106216 | 0.67 | — | — | |
| SCHEMBL11318871 | 0.64 | — | — | |
| Ethoxyamine SCHEMBL28868159 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1957437-B1 | PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS | KAO CORP (JP) | 2017-05-03 | — | — | EP | disclosed |
| US-7732644-B2 | Process for producing α,β-unsaturated aldehyde compounds | KAO CORPORATION (JP) | 2010-06-08 | — | — | US | disclosed |
| US-20090171124-A1 | PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS | KAO CORPORATION (JP) | 2009-07-02 | — | — | US | disclosed |
| EP-1957437-A1 | PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS | Kao Corporation (JP) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007063703-A1 | PROCESS FOR PRODUCING α,β-UNSATURATED ALDEHYDE COMPOUNDS | KAO CORPORATION (JP) | 2007-06-07 | — | — | WO | disclosed |