⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16790651 | 1.00 | — | — | |
| SCHEMBL24541238 | 1.00 | — | — | |
| SCHEMBL19192740 | 0.84 | — | — | |
| SCHEMBL3939267 | 0.78 | — | — | |
| SCHEMBL3325904 | 0.78 | — | — | |
| SCHEMBL155526 | 0.77 | — | — | |
| SCHEMBL2030328 | 0.73 | — | — | |
| SCHEMBL1681038 | 0.73 | — | — | |
| SCHEMBL3933918 | 0.73 | — | — | |
| SCHEMBL2030325 | 0.73 | — | — |
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-0406839-A2 | Process for the preparation of 1-(4-tetrahydropyranyl) or 1-(4-tetrahydrothiopyranyl)-prop-1-en-3-ones | BASF Aktiengesellschaft (DE) | 1991-01-09 | — | — | EP | disclosed |