⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1187179 | 1.00 | — | — | |
| SCHEMBL17104608 | 1.00 | — | — | |
| SCHEMBL14247262 | 1.00 | — | — | |
| SCHEMBL16108238 | 1.00 | — | — | |
| SCHEMBL16108119 | 0.86 | GPR119 (0.31) | — | |
| SCHEMBL1162930 | 0.86 | GPR119 (0.31) | — | |
| SCHEMBL12987786 | 0.86 | GPR119 (0.31) | — | |
| SCHEMBL17104706 | 0.81 | ITGB3 (0.31) | — | |
| SCHEMBL17104602 | 0.81 | CHRM2 (0.32) | — | |
| SCHEMBL17104683 | 0.81 | CHRM2 (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 5 patents. 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 |
| 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 |
| 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 |