⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8978045 | 1.00 | — | — | |
| SCHEMBL4161024 | 1.00 | — | — | |
| SCHEMBL12590722 | 0.79 | — | — | |
| SCHEMBL27094829 | 0.77 | — | — | |
| SCHEMBL15145733 | 0.77 | — | — | |
| SCHEMBL2939622 | 0.77 | — | — | |
| SCHEMBL12028391 | 0.74 | — | — | |
| SCHEMBL22135167 | 0.74 | — | — | |
| SCHEMBL11643871 | 0.71 | — | — | |
| SCHEMBL25189500 | 0.70 | NPSR1 (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9340530-B2 | Preparation and use of bicyclic himbacine derivatives as PAR-1 receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-05-17 | — | — | US | disclosed |
| US-20150025046-A1 | PREPARATION AND USE OF BICYCLIC HIMBACINE DERIVATIVES AS PAR-1 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2015-01-22 | — | — | US | disclosed |
| US-20120302745-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | THIRUVENGADAM TIRUVETTIPURAM K (US) | 2012-11-29 | — | — | US | disclosed |
| US-8273790-B2 | Exo-selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-09-25 | — | — | US | disclosed |
| US-20120142914-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2012-06-07 | — | — | US | disclosed |
| US-8138180-B2 | Exo-selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-03-20 | — | — | 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 |