⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13862475 | 0.76 | — | — | |
| SCHEMBL284063 | 0.74 | — | — | |
| SCHEMBL13821775 | 0.74 | — | — | |
| SCHEMBL24233793 | 0.73 | — | — | |
| SCHEMBL11872520 | 0.73 | — | — | |
| SCHEMBL20216837 | 0.73 | — | — | |
| SCHEMBL10284706 | 0.73 | — | — | |
| SCHEMBL19231988 | 0.70 | — | — | |
| SCHEMBL9504587 | 0.68 | — | — | |
| SCHEMBL6950043 | 0.68 | — | — |
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-2135869-A1 | Preparation of a crystalline form of cabergoline | Resolution Chemicals Limited (GB) | 2009-12-23 | — | — | EP | disclosed |
| EP-1912984-A1 | SOLVATE OF CABERGOLINE AND PREPARATIONS OF CABERGOLINE FORM I | Resolution Chemicals Limited (GB) | 2008-04-23 | — | — | EP | disclosed |
| US-7339060-B2 | Preparation of cabergoline | RESOLUTION CHEMICALS, LTD. (GB) | 2008-03-04 | — | — | US | disclosed |
| WO-2007012846-A1 | SOLVATE OF CABERGOLINE AND PREPARATIONS OF CABERGOLINE FORM I | RESOLUTION CHEMICALS LIMITED (GB) | 2007-02-01 | — | — | WO | disclosed |
| US-20060217408-A1 | Preparation of cabergoline | RESOLUTION CHEMICALS, LTD. (GB) | 2006-09-28 | — | — | US | disclosed |