⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1273158 | 0.91 | — | — | |
| SCHEMBL17582898 | 0.62 | — | — | |
| SCHEMBL452033 | 0.62 | — | — | |
| SCHEMBL1744655 | 0.61 | — | — | |
| SCHEMBL449294 | 0.60 | — | — | |
| SCHEMBL1162960 | 0.59 | — | — | |
| SCHEMBL14893203 | 0.59 | — | — | |
| SCHEMBL2932907 | 0.59 | — | — | |
| SCHEMBL2930212 | 0.59 | — | — | |
| SCHEMBL1162557 | 0.59 | — | — |
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-107427517-B | Medicine for preventing and/or treating dementia | 国立大学法人鸟取大学 | 2021-11-16 | — | — | CN | disclosed |
| US-20110034469-A1 | Heterocyclic Compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-10 | — | — | US | disclosed |