⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32691862 | 0.87 | — | — | |
| SCHEMBL31366969 | 0.87 | — | — | |
| SCHEMBL10682808 | 0.82 | — | — | |
| SCHEMBL239980 | 0.82 | — | — | |
| SCHEMBL11006141 | 0.82 | — | — | |
| SCHEMBL3306692 | 0.82 | — | — | |
| SCHEMBL1257064 | 0.82 | — | — | |
| SCHEMBL8354128 | 0.82 | — | — | |
| SCHEMBL8354134 | 0.82 | — | — | |
| SCHEMBL1257067 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118767925-A | High alkali resistance ultralow temperature denitration catalyst, preparation method and application | 中煤科工西安研究院(集团)有限公司 | 2024-10-15 | — | — | CN | disclosed |