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 | |
|---|---|---|---|---|
| SCHEMBL1695398 | 0.82 | MEN1 (0.39) | — | |
| SCHEMBL12083643 | 0.81 | — | — | |
| SCHEMBL14847493 | 0.81 | — | — | |
| SCHEMBL2282338 | 0.79 | — | — | |
| SCHEMBL12083804 | 0.73 | — | — | |
| SCHEMBL8441359 | 0.72 | MEN1 (0.35) | — | |
| SCHEMBL29994889 | 0.71 | CA1 (0.39) | — | |
| SCHEMBL28513985 | 0.70 | TP53 (0.38) | — | |
| SCHEMBL15420991 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL5300717 | 0.69 | ALDH1A1 (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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2196454-B1 | EXO-AND DIASTEREO-SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | MERCK SHARP & DOHME (US) | 2014-08-27 | — | — | EP | disclosed |
| US-8618314-B2 | Exo- and diastereo-selective synthesis of himbacine analogs | MERCK SHARP & DOHME CORP. (US) | 2013-12-31 | — | — | US | disclosed |
| EP-2196468-B1 | Exo-and diastereo-selective syntheses of himbacine analogs | MERCK SHARP & DOHME (US) | 2013-04-10 | — | — | EP | disclosed |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2012-11-22 | — | — | US | disclosed |
| US-8258319-B2 | Exo- and diastereo- selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-09-04 | — | — | US | disclosed |
| EP-2206697-B1 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORP (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20110251392-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2011-10-13 | — | — | US | disclosed |
| US-7989653-B2 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2011-08-02 | — | — | US | disclosed |
| EP-2206697-A1 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2196468-A1 | Exo-and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-06-16 | — | — | EP | disclosed |
| EP-2196454-A2 | Exo-and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2010-06-16 | — | — | EP | disclosed |
| EP-1848705-B1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORP (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |
| US-7605275-B2 | Cyclization of 1-(1-(diphenylaminocarbonyl-vinyl-)ethyl-oxycarbonyl-vinyl-),5-nitro-)cyclohex-1-ene by heating in a solvent to form an trans-(5,6)ring junction and an endoisomer(cis) isomer of 3-(oxo),6-(nitro),9-diphenylamido-perhydro-4,4a-didehydronaphtho(2,3)furan | SCHERING CORPORATION (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1848705-A2 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2007-10-31 | — | — | EP | disclosed |
| US-20060247450-A1 | Exo- and diastereo- selective syntheses of himbacine analogs | SCHERING CORPORATION | 2006-11-02 | — | — | US | disclosed |
| WO-2006076415-A2 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2006-07-20 | — | — | WO | disclosed |