⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL119955 | 0.46 | — | — | |
| SCHEMBL27317105 | 0.45 | — | — | |
| SCHEMBL6713 | 0.45 | — | — | |
| SCHEMBL7645220 | 0.43 | TRIM24 (0.64) | — | |
| SCHEMBL21643880 | 0.43 | — | — | |
| SCHEMBL11798212 | 0.41 | — | — | |
| Iodide SCHEMBL4433797 | 0.41 | — | — | |
| Hydrogen Sulfide SCHEMBL10979966 | 0.41 | — | — | |
| Ammonia Solution, Strong SCHEMBL8854726 | 0.41 | — | — | |
| SCHEMBL16039847 | 0.41 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117771184-B | Liposome composition for treating triple negative breast cancer and application thereof | 贵州医科大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-117771184-A | Liposome composition for treating triple negative breast cancer and application thereof | 贵州医科大学 | 2024-03-29 | — | — | CN | disclosed |
| US-6203922-B1 | GLASSY THERMOPLASTIC RESINS WITH GLASS TRANSITION TEMPERATURE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2001-03-20 | — | — | US | disclosed |