⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9253625 | 0.75 | NPC1 (0.39) | — | |
| SCHEMBL869033 | 0.70 | — | — | |
| SCHEMBL2436127 | 0.69 | — | — | |
| Ethylene SCHEMBL28232523 | 0.67 | — | — | |
| SCHEMBL27775247 | 0.65 | APEX1 (0.35) | — | |
| SCHEMBL2169311 | 0.64 | DAO (0.41) | — | |
| SCHEMBL9062088 | 0.62 | IDH1 (0.33) | — | |
| SCHEMBL29202814 | 0.61 | DAO (0.39) | — | |
| SCHEMBL11470894 | 0.60 | — | — | |
| SCHEMBL1398549 | 0.58 | APEX1 (0.37) | — |
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-110591072-A | Polyether polyol for high-load flame-retardant sponge and preparation method thereof | 山东一诺威新材料有限公司 | 2019-12-20 | — | — | CN | disclosed |