⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250476 | 1.00 | — | — | |
| SCHEMBL5573352 | 0.82 | — | — | |
| SCHEMBL6699383 | 0.82 | — | — | |
| Water SCHEMBL19371491 | 0.82 | — | — | |
| SCHEMBL23199790 | 0.82 | — | — | |
| SCHEMBL23199808 | 0.82 | — | — | |
| SCHEMBL8651575 | 0.82 | — | — | |
| SCHEMBL23199787 | 0.82 | — | — | |
| SCHEMBL22128061 | 0.82 | — | — | |
| SCHEMBL9487243 | 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-110479247-A | A kind of red mud based denitration catalyst and its preparation method and application | UNIV BEIJING CHEM TECH | 2019-11-22 | — | — | CN | disclosed |