⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL840269 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28939510 | 0.98 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL28939534 | 0.98 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL1291117 | 0.98 | KDM4E (0.33) | — | |
| SCHEMBL993721 | 0.80 | NAMPT (0.31) | — | |
| Benzene SCHEMBL11606380 | 0.79 | NAMPT (0.35) | — | |
| SCHEMBL7519504 | 0.79 | — | — | |
| SCHEMBL7525914 | 0.79 | — | — | |
| SCHEMBL33498 | 0.79 | — | — | |
| SCHEMBL23499465 | 0.78 | — | — |
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-1958666-A1 | Heterocyclic-substituted alkanamides as therapeutic compounds | Speedel Experimenta AG (CH) | 2008-08-20 | — | — | EP | disclosed |
| US-20080176947-A1 | Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors | NOVARTIS AG (CH) | 2008-07-24 | — | — | US | disclosed |