⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16166039 | 1.00 | — | — | |
| SCHEMBL16079247 | 0.78 | TRPV3 (0.31) | — | |
| SCHEMBL20606727 | 0.76 | — | — | |
| SCHEMBL20606728 | 0.76 | — | — | |
| SCHEMBL20606730 | 0.76 | — | — | |
| SCHEMBL20606731 | 0.76 | — | — | |
| SCHEMBL20606729 | 0.76 | — | — | |
| SCHEMBL16166066 | 0.75 | BACE1 (0.36) | — | |
| SCHEMBL16166067 | 0.75 | BACE1 (0.36) | — | |
| SCHEMBL21442286 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11447478-B2 | BACE1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2022-09-20 | — | — | US | disclosed |
| US-20160052920-A1 | BACE1 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-02-25 | — | — | US | disclosed |
| EP-2984086-A1 | BACE1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2016-02-17 | — | — | EP | disclosed |
| WO-2014166906-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-16 | — | — | WO | disclosed |
| WO-2014166906-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-16 | — | — | WO | disclosed |