⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12425498 | 0.79 | PTGS2 (0.32) | — | |
| SCHEMBL6734657 | 0.77 | — | — | |
| SCHEMBL6732122 | 0.77 | ACHE (0.37) | — | |
| SCHEMBL4547659 | 0.73 | HDAC1 (0.35) | — | |
| SCHEMBL3112802 | 0.73 | DGAT1 (0.30) | — | |
| SCHEMBL4592483 | 0.72 | — | — | |
| SCHEMBL6513914 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL391029 | 0.72 | CES2 (0.36) | — | |
| SCHEMBL776662 | 0.72 | RAPGEF4 (0.33) | — | |
| SCHEMBL22817324 | 0.71 | CYP1A2 (0.33) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2720544-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2016-12-21 | — | — | EP | disclosed |
| EP-2720544-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME (US) | 2016-12-21 | — | — | EP | disclosed |
| US-20150274664-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Marck Sharp & Dohme Corp. (US) | 2015-10-01 | — | — | US | disclosed |
| US-20150274664-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Marck Sharp & Dohme Corp. (US) | 2015-10-01 | — | — | US | disclosed |
| US-20150274664-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Marck Sharp & Dohme Corp. (US) | 2015-10-01 | — | — | US | disclosed |
| EP-2900242-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2015-08-05 | — | — | EP | disclosed |
| US-9006228-B2 | Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment | MERCK SHARP & DOHME CORP. (US) | 2015-04-14 | — | — | US | disclosed |
| US-9006228-B2 | Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment | MERCK SHARP & DOHME CORP. (US) | 2015-04-14 | — | — | US | disclosed |
| US-9006228-B2 | Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment | MERCK SHARP & DOHME CORP. (US) | 2015-04-14 | — | — | US | disclosed |
| US-20140128368-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2014-05-08 | — | — | US | disclosed |
| US-20140128368-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2014-05-08 | — | — | US | disclosed |
| EP-2720544-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | Merck Sharp & Dohme Corp. (US) | 2014-04-23 | — | — | EP | disclosed |
| WO-2012173917-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2012-12-20 | — | — | WO | disclosed |
| WO-2012173917-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT | MERCK SHARP & DOHME CORP. (US) | 2012-12-20 | — | — | WO | disclosed |
| US-20040138261-A1 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | PHARMACIA CORPORATION | 2004-07-15 | — | — | US | disclosed |
| US-6699884-B2 | ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. | PHARMACIA CORPORATION | 2004-03-02 | — | — | US | disclosed |
| US-6673818-B2 | TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER | PHARMACIA CORPORATION | 2004-01-06 | — | — | US | disclosed |
| US-20030149078-A1 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | PHARMACIA CORPORATION | 2003-08-07 | — | — | US | disclosed |
| US-20030032657-A1 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | PHARMACIA CORPORATION | 2003-02-13 | — | — | US | disclosed |
| EP-1251126-A2 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | Pharmacia Corporation (US) | 2002-10-23 | — | — | EP | disclosed |