⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29001440 | 0.87 | — | — | |
| SCHEMBL28166949 | 0.82 | — | — | |
| SCHEMBL30272888 | 0.82 | — | — | |
| SCHEMBL20603257 | 0.82 | — | — | |
| SCHEMBL22151318 | 0.82 | — | — | |
| SCHEMBL27479810 | 0.82 | — | — | |
| SCHEMBL273936 | 0.82 | — | — | |
| SCHEMBL278066 | 0.82 | — | — | |
| Water SCHEMBL28229386 | 0.78 | — | — | |
| SCHEMBL23499212 | 0.67 | — | — |
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-108962415-B | Method for efficiently and deeply recovering hydrogen/deuterium in hydrogen/lithium deuteride | 中国工程物理研究院材料研究所 | 2021-10-26 | — | — | CN | claimed |