⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28417917 | 0.95 | — | — | |
| SCHEMBL5134707 | 0.94 | — | — | |
| SCHEMBL28787540 | 0.89 | — | — | |
| SCHEMBL29140581 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL28796495 | 0.89 | — | — | |
| Phosphoric Acid SCHEMBL23441455 | 0.89 | CA2 (0.42) | — | |
| SCHEMBL28398825 | 0.89 | — | — | |
| SCHEMBL23531402 | 0.89 | — | — | |
| SCHEMBL20553747 | 0.89 | — | — | |
| Lithium Ion SCHEMBL29091734 | 0.84 | — | — |
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-117088628-A | Low-carbon cementing material for carbon sealing and cementing and preparation method thereof | 中国建筑材料科学研究总院有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-107986655-B | Phosphoaluminate cement modified sulphoaluminate cement clinker | 济南大学 | 2020-08-25 | — | — | CN | disclosed |