⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4891533 | 1.00 | — | — | |
| SCHEMBL4891540 | 1.00 | — | — | |
| SCHEMBL9163055 | 0.84 | — | — | |
| SCHEMBL9163059 | 0.84 | — | — | |
| SCHEMBL14616165 | 0.84 | — | — | |
| SCHEMBL12571263 | 0.84 | — | — | |
| SCHEMBL19035826 | 0.84 | — | — | |
| SCHEMBL17448398 | 0.79 | — | — | |
| SCHEMBL14306619 | 0.79 | — | — | |
| SCHEMBL13351090 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080228009-A1 | Process for Preparing 1,1,4,4-Tetraalkoxybut-2-Ene Derivatives | BASF SE (DE) | 2008-09-18 | — | — | US | disclosed |