⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4094475 | 1.00 | — | — | |
| SCHEMBL14391626 | 0.75 | — | — | |
| SCHEMBL789796 | 0.75 | — | — | |
| SCHEMBL22106334 | 0.73 | — | — | |
| SCHEMBL23844838 | 0.73 | — | — | |
| SCHEMBL249125 | 0.71 | — | — | |
| SCHEMBL711619 | 0.71 | — | — | |
| SCHEMBL4112510 | 0.71 | — | — | |
| SCHEMBL16203095 | 0.71 | — | — | |
| SCHEMBL6728568 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2785687-B1 | PROCESS FOR PREPARATION OF (3R)-2,4-DI-LEAVING GROUP-3-METHYLBUT-1-ENE | SANDOZ AG (CH) | 2019-02-20 | — | — | EP | disclosed |