⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1073848 | 0.80 | — | — | |
| SCHEMBL3464740 | 0.76 | — | — | |
| SCHEMBL3700103 | 0.76 | — | — | |
| SCHEMBL470130 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL481715 | 0.74 | — | — | |
| SCHEMBL28814218 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL21408413 | 0.74 | — | — | |
| SCHEMBL16962797 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17203364 | 0.74 | — | — | |
| SCHEMBL15622062 | 0.70 | KDM4E (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112638380-B | Cerebellar protein (CRBN) ligands | 达纳-法伯癌症研究所有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117886734-A | Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2024-04-16 | — | — | CN | disclosed |
| CN-111574507-B | Compound containing natural butenolide skeleton, preparation and application thereof | 中国农业大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-111574507-A | Compound containing natural butenolide skeleton, preparation and application thereof | 中国农业大学 | 2020-08-25 | — | — | CN | disclosed |