⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8689766 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL27986785 | 0.73 | — | — | |
| SCHEMBL28610028 | 0.72 | — | — | |
| SCHEMBL27869269 | 0.72 | — | — | |
| SCHEMBL28301409 | 0.71 | — | — | |
| SCHEMBL7992322 | 0.71 | — | — | |
| SCHEMBL9782429 | 0.71 | — | — | |
| SCHEMBL28265860 | 0.71 | — | — | |
| SCHEMBL28003526 | 0.69 | — | — | |
| SCHEMBL28757362 | 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-108383697-B | Method for preparing deuterated aldehyde by taking halomethyl compound as raw material | 中山大学 | 2021-11-19 | — | — | CN | disclosed |