⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6550787 | 0.83 | — | — | |
| SCHEMBL3020682 | 0.72 | — | — | |
| SCHEMBL9977650 | 0.62 | — | — | |
| SCHEMBL7112428 | 0.61 | — | — | |
| SCHEMBL7110006 | 0.61 | — | — | |
| SCHEMBL24513194 | 0.57 | CYP19A1 (0.36) | — | |
| SCHEMBL1039333 | 0.57 | — | — | |
| SCHEMBL19310475 | 0.55 | — | — | |
| SCHEMBL6590977 | 0.55 | — | — | |
| SCHEMBL15100795 | 0.52 | NOS3 (0.33) | — |
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-1384716-A1 | Preparation of ethenylpyrazines | Nestec S.A. (CH) | 2004-01-28 | — | — | EP | disclosed |