⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27462256 | 0.77 | — | — | |
| SCHEMBL7784374 | 0.76 | — | — | |
| SCHEMBL7828774 | 0.72 | — | — | |
| SCHEMBL265242 | 0.68 | — | — | |
| SCHEMBL13827817 | 0.68 | — | — | |
| SCHEMBL988834 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL14690127 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL988835 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL11354622 | 0.67 | — | — | |
| SCHEMBL11354629 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109749312-A | A kind of rubber composition | 四川振东精科汽车总成系统有限公司 | 2019-05-14 | — | — | CN | claimed |