⚠ 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 | |
|---|---|---|---|---|
| Barium SCHEMBL31335117 | 0.87 | — | — | |
| SCHEMBL28549614 | 0.75 | — | — | |
| Barium SCHEMBL29620328 | 0.75 | — | — | |
| Barium SCHEMBL29620327 | 0.75 | — | — | |
| SCHEMBL493609 | 0.75 | — | — | |
| Barium SCHEMBL30235769 | 0.75 | — | — | |
| Barium SCHEMBL31415741 | 0.71 | — | — | |
| SCHEMBL1553527 | 0.71 | — | — | |
| Barium SCHEMBL31038622 | 0.71 | — | — | |
| SCHEMBL605501 | 0.71 | — | — |
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-112578008-B | Performance analysis method for three-dimensional microstructure of ternary composite electrode of proton ceramic fuel cell | 江苏科技大学 | 2022-11-29 | — | — | CN | disclosed |