⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6397567 | 0.88 | — | — | |
| SCHEMBL17784253 | 0.85 | — | — | |
| SCHEMBL11908489 | 0.77 | — | — | |
| SCHEMBL448123 | 0.75 | — | — | |
| SCHEMBL28947393 | 0.74 | — | — | |
| SCHEMBL28904648 | 0.74 | — | — | |
| SCHEMBL2568002 | 0.71 | — | — | |
| SCHEMBL28773356 | 0.70 | — | — | |
| SCHEMBL7007796 | 0.70 | — | — | |
| SCHEMBL28395713 | 0.69 | — | — |
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-115944726-A | Chemically modified B 4 C nanoparticles and applications thereof | 无锡市南京大学锡山应用生物技术研究所 | 2023-04-11 | — | — | CN | disclosed |