⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL10051934 | 0.75 | — | — | |
| Butanone SCHEMBL14701760 | 0.75 | — | — | |
| SCHEMBL12216409 | 0.75 | — | — | |
| Chloroacetone SCHEMBL11934579 | 0.72 | — | — | |
| Butanone SCHEMBL8515770 | 0.70 | — | — | |
| SCHEMBL10051933 | 0.67 | — | — | |
| Acetone SCHEMBL481388 | 0.66 | — | — | |
| SCHEMBL1608 | 0.64 | — | — | |
| SCHEMBL19602143 | 0.64 | — | — | |
| Butanone SCHEMBL1039820 | 0.64 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120040976-A1 | SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2012-02-16 | — | — | US | disclosed |