⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27964822 | 0.75 | — | — | |
| SCHEMBL4073685 | 0.69 | — | — | |
| Hydrogen Sulfide SCHEMBL27522910 | 0.66 | — | — | |
| Water SCHEMBL27524007 | 0.66 | — | — | |
| Water SCHEMBL8221741 | 0.66 | — | — | |
| SCHEMBL27640180 | 0.64 | LMNA (0.30) | — | |
| SCHEMBL24183889 | 0.60 | — | — | |
| SCHEMBL31481251 | 0.59 | MEN1 (0.36) | — | |
| SCHEMBL1423637 | 0.58 | CYP3A4 (0.32) | — | |
| SCHEMBL28613075 | 0.56 | SMN1; SMN2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113795491-B | Bridged ring-3, 4-dihydro-pyrido [1,2-a ] pyrazine-1, 8-dione compounds and pharmaceutical uses thereof | 上海拓界生物医药科技有限公司 | 2024-09-03 | — | — | CN | disclosed |