⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22609509 | 0.77 | — | — | |
| SCHEMBL29888966 | 0.74 | — | — | |
| SCHEMBL26126962 | 0.72 | — | — | |
| SCHEMBL28546243 | 0.72 | — | — | |
| SCHEMBL14834291 | 0.66 | — | — | |
| SCHEMBL16969777 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL16970380 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL16969749 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL16969810 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL2566336 | 0.65 | — | — |
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-108192095-A | The preparation method of the polymer of main chain amide bond | 苏州大学 | 2018-06-22 | — | — | CN | disclosed |