⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29879452 | 0.78 | OPRM1 (0.37) | — | |
| SCHEMBL29211250 | 0.76 | — | — | |
| SCHEMBL29211252 | 0.68 | OPRM1 (0.31) | — | |
| SCHEMBL29878679 | 0.66 | EP300 (0.31) | — | |
| SCHEMBL29879737 | 0.59 | OPRM1 (0.32) | — | |
| SCHEMBL24066366 | 0.59 | PKM (0.54) | — | |
| SCHEMBL23225609 | 0.58 | OPRM1 (0.37) | — | |
| SCHEMBL23225699 | 0.58 | OPRM1 (0.39) | — | |
| SCHEMBL29879210 | 0.58 | OPRM1 (0.37) | — | |
| SCHEMBL28849738 | 0.58 | OPRM1 (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-114945573-A | Prodrugs of myeloperoxidase inhibitors | 拜奥海芬治疗学有限公司 | 2022-08-26 | — | — | CN | disclosed |