⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13060098 | 0.97 | — | — | |
| SCHEMBL28857343 | 0.94 | — | — | |
| SCHEMBL3406098 | 0.73 | — | — | |
| SCHEMBL11422904 | 0.73 | — | — | |
| Acetone SCHEMBL11778591 | 0.71 | LMNA (0.43) | — | |
| SCHEMBL31519368 | 0.71 | — | — | |
| SCHEMBL4165077 | 0.71 | — | — | |
| SCHEMBL318619 | 0.69 | — | — | |
| Acetic Acid SCHEMBL1425699 | 0.69 | FFAR3 (0.47) | — | |
| SCHEMBL28631947 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115160119-A | Method for preparing 4-methoxy-3-butene-2-ketone | 赵博佑 | 2022-10-11 | — | — | CN | disclosed |
| CN-115160119-A | Method for preparing 4-methoxy-3-butene-2-ketone | 赵博佑 | 2022-10-11 | — | — | CN | disclosed |