⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39411 | 0.72 | — | — | |
| SCHEMBL8650899 | 0.72 | — | — | |
| SCHEMBL9013515 | 0.70 | — | — | |
| SCHEMBL2087140 | 0.70 | — | — | |
| SCHEMBL25496315 | 0.70 | — | — | |
| SCHEMBL29271871 | 0.70 | — | — | |
| SCHEMBL8720970 | 0.70 | — | — | |
| Methoxymethane SCHEMBL28440091 | 0.70 | PDE4A (0.33) | — | |
| SCHEMBL7356491 | 0.67 | TDP1 (0.34) | — | |
| SCHEMBL19897747 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117164533-A | Method for synthesizing furylacetic acid compound by using carbon dioxide | 中国科学院兰州化学物理研究所 | 2023-12-05 | — | — | CN | disclosed |
| CN-112898247-B | Synthetic method of furan acetate compound | 中国科学院兰州化学物理研究所 | 2023-03-14 | — | — | CN | disclosed |
| CN-112898247-A | Synthetic method of furan acetate compound | 中国科学院兰州化学物理研究所 | 2021-06-04 | — | — | CN | disclosed |