⚠ 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 | |
|---|---|---|---|---|
| Glycerin SCHEMBL2068809 | 0.84 | LMNA (0.43) | — | |
| SCHEMBL2462465 | 0.79 | — | — | |
| SCHEMBL622178 | 0.79 | — | — | |
| SCHEMBL8998769 | 0.75 | — | — | |
| SCHEMBL7858480 | 0.73 | — | — | |
| Glycidol SCHEMBL15684 | 0.72 | — | — | |
| Glycidol SCHEMBL8375576 | 0.72 | ALDH1A1 (0.44) | — | |
| Glycidol SCHEMBL377640 | 0.72 | — | — | |
| Glycidol SCHEMBL377563 | 0.72 | — | — | |
| Glycidol SCHEMBL2014115 | 0.72 | ALDH1A1 (0.44) | — |
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-116234549-A | Salt-induced kinase inhibitors | 总医院公司 | 2023-06-06 | — | — | CN | disclosed |