⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22826893 | 0.75 | RIPK1 (0.39) | — | |
| SCHEMBL1555324 | 0.74 | — | — | |
| SCHEMBL2876205 | 0.74 | — | — | |
| SCHEMBL4463879 | 0.72 | — | — | |
| SCHEMBL11200039 | 0.72 | — | — | |
| SCHEMBL1556988 | 0.70 | L3MBTL1 (0.36) | — | |
| SCHEMBL11881821 | 0.69 | L3MBTL1 (0.34) | — | |
| SCHEMBL11450508 | 0.69 | L3MBTL1 (0.34) | — | |
| SCHEMBL732825 | 0.67 | — | — | |
| SCHEMBL5690876 | 0.65 | CYP1A2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023002965-A1 | SALT OF HETEROCYCLIC COMPOUND WITH ANTI-MALARIA ACTIVITY, AND CRYSTALS THEREOF | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2023-01-26 | — | — | WO | disclosed |