⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2229904 | 0.82 | — | — | |
| SCHEMBL8572801 | 0.74 | MEN1 (0.70) | — | |
| SCHEMBL8576605 | 0.72 | DPP4 (0.69) | — | |
| SCHEMBL1775914 | 0.71 | — | — | |
| SCHEMBL7277336 | 0.70 | CYP2A6 (0.43) | — | |
| SCHEMBL99745 | 0.70 | — | — | |
| SCHEMBL282133 | 0.70 | — | — | |
| SCHEMBL93014 | 0.70 | — | — | |
| SCHEMBL2969315 | 0.70 | — | — | |
| SCHEMBL1244139 | 0.70 | — | — |
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 |