⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28307468 | 0.89 | PDE2A (0.32) | — | |
| SCHEMBL28910522 | 0.87 | KDM4E (0.34) | — | |
| SCHEMBL29975701 | 0.80 | SDHB (0.44) | — | |
| SCHEMBL19805920 | 0.80 | SDHB (0.44) | — | |
| SCHEMBL28306291 | 0.76 | SDHB (0.41) | — | |
| SCHEMBL28306356 | 0.75 | SDHB (0.35) | — | |
| SCHEMBL28306419 | 0.75 | SDHB (0.46) | — | |
| SCHEMBL28307428 | 0.74 | DRD4 (0.30) | — | |
| SCHEMBL28910510 | 0.74 | TP53 (0.39) | — | |
| SCHEMBL28306396 | 0.70 | ALDH1A1 (0.34) | — |
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-110023292-A | Apoptosis inhibitor | 北京生命科学研究所 | 2019-07-16 | — | — | CN | disclosed |