⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28165559 | 0.89 | — | — | |
| SCHEMBL438384 | 0.87 | — | — | |
| SCHEMBL29176101 | 0.87 | — | — | |
| SCHEMBL27844170 | 0.87 | — | — | |
| SCHEMBL29004754 | 0.82 | — | — | |
| SCHEMBL28896090 | 0.75 | — | — | |
| SCHEMBL28474377 | 0.75 | — | — | |
| SCHEMBL1889011 | 0.75 | — | — | |
| SCHEMBL28573922 | 0.75 | — | — | |
| SCHEMBL18833514 | 0.75 | — | — |
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-116006897-A | Hydrogen storage device | 中国原子能科学研究院 | 2023-04-25 | — | — | CN | disclosed |