⚠ 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 | |
|---|---|---|---|---|
| Calcium SCHEMBL31521717 | 1.00 | — | — | |
| Calcium SCHEMBL30492714 | 1.00 | — | — | |
| Calcium SCHEMBL29382378 | 1.00 | — | — | |
| Calcium SCHEMBL29493879 | 1.00 | — | — | |
| Calcium SCHEMBL29351285 | 1.00 | — | — | |
| Calcium SCHEMBL31320730 | 0.82 | — | — | |
| Calcium SCHEMBL32667978 | 0.82 | — | — | |
| Calcium SCHEMBL31387969 | 0.82 | — | — | |
| Calcium SCHEMBL30933863 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL31038375 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118026230-A | Method for producing high-whiteness aluminum hydroxide and co-producing calcium carbonate by aluminothermic reduction of magnesium slag | 东北大学 | 2024-05-14 | — | — | CN | claimed |
| CN-118026230-A | Method for producing high-whiteness aluminum hydroxide and co-producing calcium carbonate by aluminothermic reduction of magnesium slag | 东北大学 | 2024-05-14 | — | — | CN | disclosed |
| EP-3917668-A4 | METAL-DECORATED BARIUM CALCIUM ALUMINUM OXIDE CATALYST FOR NH3 SYNTHESIS AND CRACKING AND METHODS OF FORMING THE SAME | Starfire Energy (US) | 2022-11-23 | — | — | EP | disclosed |