⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28847861 | 0.89 | — | — | |
| SCHEMBL29029458 | 0.89 | — | — | |
| SCHEMBL29233457 | 0.87 | — | — | |
| SCHEMBL28443508 | 0.87 | — | — | |
| SCHEMBL28183338 | 0.87 | — | — | |
| SCHEMBL23199766 | 0.87 | — | — | |
| SCHEMBL1575736 | 0.87 | — | — | |
| SCHEMBL492972 | 0.75 | — | — | |
| SCHEMBL17315002 | 0.75 | — | — | |
| SCHEMBL20994220 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115094310-B | Zirconium-cerium-lanthanum-calcium-sulfur treated high-purity high-density steel and preparation and application thereof | 山西太钢不锈钢股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-115094310-A | High-cleanness and high-compactness steel treated by zirconium, cerium, lanthanum, calcium and sulfur, and preparation and application thereof | 山西太钢不锈钢股份有限公司 | 2022-09-23 | — | — | CN | disclosed |