⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL251318 | 0.87 | — | — | |
| Water SCHEMBL545668 | 0.75 | — | — | |
| SCHEMBL76986 | 0.75 | — | — | |
| Water SCHEMBL994298 | 0.75 | — | — | |
| Phosphine SCHEMBL17293818 | 0.75 | — | — | |
| SCHEMBL11234385 | 0.67 | — | — | |
| Cyanide SCHEMBL8910107 | 0.61 | — | — | |
| Potassium SCHEMBL31550895 | 0.50 | — | — | |
| SCHEMBL8860314 | 0.50 | — | — | |
| SCHEMBL29805869 | 0.50 | — | — |
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-114887648-B | Preparation method of catalyst for synthesizing dimethyl oxalate and co-producing dimethyl carbonate by methyl nitrite carbonylation | 中国石油大学(华东) | 2023-08-04 | — | — | CN | claimed |
| CN-115360365-A | Supported monatomic alloy catalyst, preparation method and application thereof | 华中科技大学 | 2022-11-18 | — | — | CN | disclosed |