⚠ 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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL27947339 | 0.96 | — | — | |
| Cyclooctanamine SCHEMBL27758196 | 0.96 | THRB (0.41) | — | |
| Cyanide SCHEMBL28137722 | 0.88 | — | — | |
| Cyanide SCHEMBL21222855 | 0.88 | — | — | |
| Cyclopentanamine SCHEMBL9222 | 0.88 | — | — | |
| SCHEMBL14665759 | 0.88 | THRB (0.54) | — | |
| Cyclohexylamine SCHEMBL25428096 | 0.85 | — | — | |
| SCHEMBL23379889 | 0.84 | THRB (0.50) | — | |
| SCHEMBL20830445 | 0.84 | THRB (0.50) | — | |
| SCHEMBL23379885 | 0.84 | THRB (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108276389-B | Synthetic method of irbesartan | 北京化工大学 | 2020-10-16 | — | — | CN | disclosed |
| CN-101014578-B | Triazole derivative or salt thereof | ASTELLAS PHARMA INC | 2011-01-19 | — | — | CN | disclosed |
| CN-101605798-A | Imidazothiazole derivative | DAIICHI SANKYO CO LTD (JP) | 2009-12-16 | — | — | CN | disclosed |
| CN-101365680-A | 3, 5-substituted piperidine compounds as renin inhibitors | NOVARTIS AG (CH) | 2009-02-11 | — | — | CN | disclosed |
| CN-101014578-A | Triazole derivative or salt thereof | ASTELLAS PHARMA INC (JP) | 2007-08-08 | — | — | CN | disclosed |