⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29163121 | 0.84 | NPC1 (0.47) | — | |
| SCHEMBL2321138 | 0.83 | — | — | |
| SCHEMBL11181804 | 0.81 | — | — | |
| SCHEMBL6400325 | 0.81 | — | — | |
| SCHEMBL1261544 | 0.81 | — | — | |
| SCHEMBL8223825 | 0.81 | — | — | |
| SCHEMBL8736180 | 0.81 | TBXAS1 (0.47) | — | |
| SCHEMBL3177951 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL26916942 | 0.81 | NPC1 (0.49) | — | |
| Hydrochloric Acid SCHEMBL26916941 | 0.81 | NPC1 (0.49) | — |
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-110051837-B | CuO/ZnO/Au nano-particles and preparation method and application thereof | 南京师范大学 | 2021-05-11 | — | — | CN | disclosed |
| CN-110382501-A | Benzodiazepine derivatives, compositions and methods for treating cognitive impairment | 艾吉因生物股份有限公司 | 2019-10-25 | — | — | CN | disclosed |