⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19806011 | 0.82 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL29976343 | 0.82 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL20985635 | 0.70 | SDHB (0.33) | — | |
| SCHEMBL20985672 | 0.67 | SDHB (0.37) | — | |
| SCHEMBL30526073 | 0.67 | SDHB (0.37) | — | |
| SCHEMBL21019948 | 0.62 | SIGMAR1 (0.31) | — | |
| SCHEMBL21019833 | 0.62 | — | — | |
| SCHEMBL21019752 | 0.62 | — | — | |
| SCHEMBL20985699 | 0.62 | SDHB (0.36) | — | |
| SCHEMBL28306288 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11034680-B2 | Apoptosis inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2021-06-15 | — | — | US | disclosed |
| US-20190152960-A1 | Apoptosis Inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2019-05-23 | — | — | US | disclosed |