⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9064637 | 0.70 | GRIK1 (0.34) | — | |
| SCHEMBL8838837 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL27885364 | 0.68 | OR51E2 (0.35) | — | |
| SCHEMBL8022627 | 0.68 | GRIK1 (0.33) | — | |
| SCHEMBL7564325 | 0.68 | GRIK1 (0.46) | — | |
| SCHEMBL7564329 | 0.68 | GRIK1 (0.46) | — | |
| SCHEMBL3760035 | 0.67 | — | — | |
| SCHEMBL3760025 | 0.67 | — | — | |
| SCHEMBL11457517 | 0.67 | BACE1 (0.41) | — | |
| SCHEMBL28065543 | 0.67 | GRIK1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108299437-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-107759620-B | Octahydropyrrolo [3,4-c ] pyrrole derivatives, methods of use, and uses thereof | 广东东阳光药业有限公司 | 2021-11-12 | — | — | CN | disclosed |
| CN-106986859-B | Indole derivatives and uses thereof | 广东东阳光药业有限公司 | 2020-02-11 | — | — | CN | disclosed |