⚠ 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 | |
|---|---|---|---|---|
| Benzoquinone SCHEMBL28158877 | 1.00 | — | — | |
| Benzoquinone SCHEMBL460082 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL10506648 | 0.94 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL30679171 | 0.94 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.94 | — | — | |
| Benzoquinone SCHEMBL3208089 | 0.94 | — | — | |
| Benzoquinone SCHEMBL1873085 | 0.89 | — | — | |
| Benzoquinone SCHEMBL3394588 | 0.89 | — | — | |
| Benzoquinone SCHEMBL10776546 | 0.89 | — | — | |
| Benzoquinone SCHEMBL7264876 | 0.89 | ALDH1A1 (0.89) | — |
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-107551089-B | A kind of medicine for treating hyperlipidemia and preparation method thereof and detection method | 新疆阿勒泰地区哈萨克医医院 | 2018-05-04 | — | — | CN | disclosed |
| CN-107551089-A | A kind of medicine for treating hyperlipidemia and preparation method thereof and detection method | 新疆阿勒泰地区哈萨克医医院 | 2018-01-09 | — | — | CN | disclosed |