⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28141154 | 0.84 | — | — | |
| SCHEMBL18052184 | 0.77 | — | — | |
| SCHEMBL6327531 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL28873036 | 0.73 | ADH1C (0.39) | — | |
| SCHEMBL8185989 | 0.72 | — | — | |
| SCHEMBL8185987 | 0.72 | — | — | |
| SCHEMBL309226 | 0.72 | — | — | |
| SCHEMBL309227 | 0.72 | — | — | |
| SCHEMBL309228 | 0.72 | — | — | |
| SCHEMBL11147936 | 0.71 | — | — |
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-106631842-A | Synthetic method for N-substituent-3-aminoacrolein | 浙江工业大学 | 2017-05-10 | — | — | CN | disclosed |