⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27608473 | 0.87 | — | — | |
| SCHEMBL6887650 | 0.87 | — | — | |
| Water SCHEMBL21002229 | 0.87 | — | — | |
| SCHEMBL34506 | 0.82 | — | — | |
| SCHEMBL11310305 | 0.82 | — | — | |
| SCHEMBL78679 | 0.82 | — | — | |
| SCHEMBL1010169 | 0.82 | — | — | |
| SCHEMBL28336983 | 0.82 | — | — | |
| Fluoride SCHEMBL28666227 | 0.78 | — | — | |
| Water SCHEMBL21001932 | 0.78 | — | — |
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-111182966-B | For NH 3 Catalytic metal-modified barium calcium aluminum oxides and related materials | 星火能源 | 2023-05-30 | — | — | CN | disclosed |