⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2350 | 0.75 | — | — | |
| SCHEMBL5964280 | 0.72 | — | — | |
| Hydrogen Sulfide SCHEMBL28150162 | 0.72 | — | — | |
| Phosphine SCHEMBL27943772 | 0.72 | — | — | |
| Hydroxyl Radical SCHEMBL11481788 | 0.72 | — | — | |
| SCHEMBL9514421 | 0.72 | — | — | |
| Ethylene SCHEMBL27908054 | 0.69 | — | — | |
| Ethane SCHEMBL28342067 | 0.69 | — | — | |
| Triphenylene SCHEMBL29444831 | 0.67 | HPRT1 (0.40) | — | |
| Biphenyl SCHEMBL30634889 | 0.67 | ALDH1A1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1833816-A1 | SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | Novartis AG (CH) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006069788-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2006-07-06 | — | — | WO | disclosed |