⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3027128 | 0.81 | — | — | |
| SCHEMBL6249306 | 0.80 | AOC1 (0.43) | — | |
| SCHEMBL29900474 | 0.80 | AOC1 (0.43) | — | |
| SCHEMBL29807285 | 0.79 | — | — | |
| SCHEMBL26076115 | 0.79 | — | — | |
| SCHEMBL17541439 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL31303524 | 0.78 | AOC1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL21618217 | 0.78 | AOC1 (0.45) | — | |
| SCHEMBL2642717 | 0.74 | — | — | |
| SCHEMBL1261879 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7342116-B2 | Process for producing heterocyclic aldehyde | KOEI CHEMICAL CO., LTD. (JP) | 2008-03-11 | — | — | US | disclosed |
| US-20050124807-A1 | oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound | KOEI CHEMICAL CO., LTD. (JP) | 2005-06-09 | — | — | US | disclosed |