⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3248120 | 0.81 | SCN2A (0.33) | — | |
| SCHEMBL28054698 | 0.81 | SCN2A (0.33) | — | |
| SCHEMBL28389533 | 0.76 | — | — | |
| SCHEMBL29062276 | 0.76 | — | — | |
| SCHEMBL29062326 | 0.76 | — | — | |
| SCHEMBL25294469 | 0.75 | — | — | |
| SCHEMBL6908474 | 0.68 | SIRT2 (0.33) | — | |
| SCHEMBL9376112 | 0.67 | — | — | |
| SCHEMBL11464778 | 0.67 | — | — | |
| SCHEMBL8509327 | 0.66 | SCN2A (0.34) | — |
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-114929200-A | Method for lowering sol-gel transition temperature | 罗查尔科技有限责任公司 | 2022-08-19 | — | — | CN | disclosed |