⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20606730 | 1.00 | — | — | |
| SCHEMBL20606727 | 1.00 | — | — | |
| SCHEMBL20606728 | 1.00 | — | — | |
| SCHEMBL20606731 | 1.00 | — | — | |
| SCHEMBL15065650 | 0.78 | — | — | |
| SCHEMBL14720754 | 0.77 | — | — | |
| SCHEMBL14720753 | 0.77 | — | — | |
| SCHEMBL16166069 | 0.76 | — | — | |
| SCHEMBL21442286 | 0.76 | — | — | |
| SCHEMBL16166039 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220298152-A1 | BACE1 INHIBITORS | HOFFMANN LA ROCHE (US) | 2022-09-22 | — | — | US | disclosed |
| US-20210101894-A1 | BACE1 INHIBITORS | HOFFMANN LA ROCHE (US) | 2021-04-08 | — | — | US | disclosed |
| US-20210101894-A1 | BACE1 INHIBITORS | HOFFMANN LA ROCHE (US) | 2021-04-08 | — | — | US | disclosed |
| US-20190055231-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2019-02-21 | — | — | US | disclosed |
| US-20190055231-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2019-02-21 | — | — | US | disclosed |
| EP-3423450-A1 | BACE 1 INHIBITORS | H. Hoffnabb-La Roche Ag (CH) | 2019-01-09 | — | — | EP | disclosed |