⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL9889222 | 1.00 | — | — | |
| SCHEMBL5324 | 0.72 | — | — | |
| SCHEMBL2442339 | 0.69 | — | — | |
| SCHEMBL3406974 | 0.69 | — | — | |
| SCHEMBL4025745 | 0.69 | — | — | |
| SCHEMBL1766650 | 0.67 | — | — | |
| SCHEMBL9918890 | 0.67 | — | — | |
| SCHEMBL16519937 | 0.67 | — | — | |
| SCHEMBL5823201 | 0.67 | — | — | |
| SCHEMBL6203205 | 0.67 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399912-B1 | An exo-selective synthesis of himbacine analogs | MERCK SHARP & DOHME (US) | 2015-02-25 | — | — | EP | disclosed |
| EP-2196454-B1 | EXO-AND DIASTEREO-SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | MERCK SHARP & DOHME (US) | 2014-08-27 | — | — | EP | disclosed |
| EP-1846385-B1 | AN EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | MERCK SHARP & DOHME (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-2196468-B1 | Exo-and diastereo-selective syntheses of himbacine analogs | MERCK SHARP & DOHME (US) | 2013-04-10 | — | — | EP | disclosed |
| US-20120302745-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | THIRUVENGADAM TIRUVETTIPURAM K (US) | 2012-11-29 | — | — | US | 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 |
| US-8138180-B2 | Exo-selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-03-20 | — | — | US | 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 |
| US-20100267947-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2010-10-21 | — | — | US | disclosed |
| US-7772276-B2 | Exo-selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2010-08-10 | — | — | US | 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 |