⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL311842 | 0.70 | — | — | |
| SCHEMBL29100494 | 0.64 | RAPGEF4 (0.32) | — | |
| SCHEMBL30675107 | 0.64 | — | — | |
| SCHEMBL25308069 | 0.63 | — | — | |
| SCHEMBL25355629 | 0.62 | — | — | |
| SCHEMBL29001982 | 0.59 | — | — | |
| Propionamide SCHEMBL28286505 | 0.56 | — | — | |
| Propionamide SCHEMBL6361 | 0.56 | — | — | |
| Propionamide SCHEMBL27662186 | 0.56 | TDP1 (0.50) | — | |
| Propionamide SCHEMBL21359983 | 0.55 | GSK3A (0.52) | — |
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-109134350-A | Donepezil-BHT heterozygote, preparation method and its for treating Alzheimer's disease | 中国药科大学 | 2019-01-04 | — | — | CN | disclosed |