⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4591842 | 0.77 | GABRA1 (0.38) | — | |
| SCHEMBL1164626 | 0.76 | GABRA1 (0.36) | — | |
| SCHEMBL11121532 | 0.75 | — | — | |
| SCHEMBL249482 | 0.74 | — | — | |
| SCHEMBL13572315 | 0.74 | — | — | |
| SCHEMBL6036916 | 0.74 | — | — | |
| SCHEMBL5455704 | 0.74 | — | — | |
| SCHEMBL2882496 | 0.74 | — | — | |
| SCHEMBL4677442 | 0.74 | — | — | |
| SCHEMBL1384842 | 0.74 | GABRA1 (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-117757044-B | Preparation method of polymer photovoltaic material | 橙子(辽宁)材料科技有限公司 | 2024-05-24 | — | — | CN | disclosed |