⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28124275 | 0.89 | — | — | |
| SCHEMBL19182484 | 0.87 | — | — | |
| SCHEMBL29278857 | 0.87 | — | — | |
| SCHEMBL3477683 | 0.87 | — | — | |
| SCHEMBL3477688 | 0.87 | — | — | |
| SCHEMBL1814221 | 0.87 | — | — | |
| SCHEMBL453834 | 0.87 | — | — | |
| SCHEMBL31668854 | 0.87 | — | — | |
| SCHEMBL28384056 | 0.82 | — | — | |
| SCHEMBL2066356 | 0.75 | — | — |
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-116448707-A | Method suitable for analyzing sulfur content in steelmaking additive titanium strip iron | 武钢集团昆明钢铁股份有限公司 | 2023-07-18 | — | — | CN | disclosed |