⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6984661 | 0.60 | KDM4E (0.31) | — | |
| SCHEMBL31235926 | 0.60 | — | — | |
| SCHEMBL3704856 | 0.59 | CYP1A2 (0.37) | — | |
| SCHEMBL37603 | 0.58 | — | — | |
| SCHEMBL2393939 | 0.57 | — | — | |
| SCHEMBL16246596 | 0.57 | CCR2 (0.36) | — | |
| SCHEMBL2508242 | 0.56 | — | — | |
| SCHEMBL3389545 | 0.56 | NOS1 (0.46) | — | |
| SCHEMBL2551693 | 0.55 | — | — | |
| SCHEMBL10964534 | 0.55 | — | — |
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-117886881-A | Chimeric compound for targeted degradation of BCL-2 protein, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-04-16 | — | — | CN | disclosed |