⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308712 | 0.97 | — | — | |
| SCHEMBL28090298 | 0.97 | DNM1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL15876935 | 0.93 | — | — | |
| SCHEMBL16424478 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL4871583 | 0.93 | — | — | |
| Iodide SCHEMBL29722621 | 0.93 | — | — | |
| Charcoal, Activated SCHEMBL1345483 | 0.90 | — | — | |
| Ethylene SCHEMBL29281348 | 0.88 | DNM1 (0.46) | — | |
| SCHEMBL29533 | 0.87 | — | — | |
| SCHEMBL27976138 | 0.87 | OPRM1 (0.63) | — |
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-114163631-B | Polyamide and preparation method and application thereof | 上海凯赛生物技术股份有限公司 | 2023-12-08 | — | — | CN | disclosed |