⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14000472 | 1.00 | — | — | |
| SCHEMBL1781516 | 1.00 | — | — | |
| SCHEMBL1781514 | 1.00 | — | — | |
| SCHEMBL18392864 | 1.00 | — | — | |
| SCHEMBL10680124 | 0.79 | — | — | |
| SCHEMBL12575417 | 0.79 | — | — | |
| SCHEMBL320740 | 0.79 | — | — | |
| SCHEMBL320739 | 0.79 | — | — | |
| SCHEMBL5355929 | 0.79 | GABRP (0.36) | — | |
| SCHEMBL1782527 | 0.78 | GABRP (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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1098666-B1 | WATER-SOLUBLE DRUGS AND METHODS FOR THEIR PRODUCTION | US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) | 2013-01-16 | — | — | EP | disclosed |
| US-8329905-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | 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-20100137597-A1 | SYNTHESIS Of DIETHYLPHOSPHONATE | SCHERING CORPORATION | 2010-06-03 | — | — | US | disclosed |
| US-7687631-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | SCHERING CORPORATION (US) | 2010-03-30 | — | — | US | disclosed |
| US-7678948-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | SCHERING CORPORATION (US) | 2010-03-16 | — | — | US | disclosed |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |
| US-20090203936-A1 | SYNTHESIS OF 3-(5-NITROCYCLOHEX-1-ENYL) ACRYLIC ACID AND ESTERS THEREOF | SCHERING CORPORATION | 2009-08-13 | — | — | US | disclosed |
| US-7553987-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | SCHERING CORPORATION (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080009651-A1 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | TOPROL ACQUISITION LLC | 2008-01-03 | — | — | US | disclosed |