⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1767952 | 0.82 | HRH4 (0.41) | — | |
| Dimethylamine SCHEMBL9053689 | 0.75 | HRH4 (0.45) | — | |
| SCHEMBL805489 | 0.73 | — | — | |
| SCHEMBL16030878 | 0.71 | — | — | |
| SCHEMBL792959 | 0.71 | — | — | |
| SCHEMBL12311620 | 0.71 | — | — | |
| SCHEMBL1370741 | 0.71 | — | — | |
| SCHEMBL9610942 | 0.71 | — | — | |
| SCHEMBL16404760 | 0.71 | — | — | |
| SCHEMBL4872734 | 0.71 | CYP1A2 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080132477-A1 | Macrocyclic Compounds Useful as Bace Inhibitors | NOVARTIS AG (CH) | 2008-06-05 | — | — | US | disclosed |
| CN-101103008-A | Macrocyclic compounds useful as bace inhibitors | NOVARTIS AG (CH) | 2008-01-09 | — | — | CN | disclosed |
| EP-1851208-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006074950-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2006-07-20 | — | — | WO | disclosed |