⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4620853 | 0.77 | — | — | |
| SCHEMBL28069953 | 0.76 | — | — | |
| SCHEMBL4652988 | 0.74 | — | — | |
| SCHEMBL11862810 | 0.74 | — | — | |
| SCHEMBL11862804 | 0.74 | — | — | |
| SCHEMBL27879372 | 0.73 | — | — | |
| SCHEMBL7873012 | 0.71 | — | — | |
| SCHEMBL7864012 | 0.71 | — | — | |
| SCHEMBL11365521 | 0.70 | — | — | |
| SCHEMBL7869291 | 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-112876496-B | Organic small-molecule optical diagnosis and treatment probe and preparation method and application thereof | 南京邮电大学 | 2022-01-28 | — | — | CN | claimed |