⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL12165683 | 0.95 | — | — | |
| Acetaldehyde SCHEMBL29906064 | 0.74 | — | — | |
| Acetaldehyde SCHEMBL1331042 | 0.74 | — | — | |
| Acetaldehyde SCHEMBL25291303 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL2384792 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL274202 | 0.72 | — | — | |
| Acetaldehyde SCHEMBL18911590 | 0.70 | — | — | |
| Acetaldehyde SCHEMBL28590108 | 0.67 | — | — | |
| Acetaldehyde SCHEMBL29069481 | 0.67 | — | — | |
| D-Lactic Acid SCHEMBL31279541 | 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-115159461-A | Preparation method of sodium deuteride | 理道新材(北京)科技有限公司 | 2022-10-11 | — | — | CN | disclosed |