⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27617603 | 0.80 | — | — | |
| SCHEMBL17075359 | 0.69 | CYP2D6 (0.31) | — | |
| Ethane SCHEMBL27535133 | 0.66 | — | — | |
| SCHEMBL4254172 | 0.66 | — | — | |
| Propanol SCHEMBL27890128 | 0.66 | — | — | |
| SCHEMBL4373036 | 0.66 | — | — | |
| SCHEMBL27801237 | 0.65 | — | — | |
| SCHEMBL3621661 | 0.64 | — | — | |
| Methoxymethane SCHEMBL27864187 | 0.63 | — | — | |
| SCHEMBL8135494 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2022131090-A | COMPOSITION, COMPONENT AND PROTECTOR | 国立研究開発法人物質・材料研究機構 | 2022-09-07 | — | — | JP | disclosed |