⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4352728 | 0.76 | — | — | |
| SCHEMBL2765034 | 0.74 | PLAU (0.30) | — | |
| SCHEMBL10711431 | 0.73 | — | — | |
| SCHEMBL25293350 | 0.73 | ACHE (0.41) | — | |
| SCHEMBL12755533 | 0.71 | — | — | |
| SCHEMBL22715404 | 0.71 | — | — | |
| SCHEMBL28663728 | 0.71 | — | — | |
| SCHEMBL17102326 | 0.71 | — | — | |
| SCHEMBL3262269 | 0.71 | — | — | |
| SCHEMBL22472907 | 0.71 | ELANE (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160052920-A1 | BACE1 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-02-25 | — | — | US | claimed |
| EP-2984086-A1 | BACE1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2016-02-17 | — | — | EP | claimed |
| WO-2014166906-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-16 | — | — | WO | claimed |
| 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 |
| US-20150150877-A1 | NOVEL OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE | NOVARTIS AG (CH) | 2015-06-04 | — | — | US | disclosed |
| WO-2014166906-A1 | BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-10-16 | — | — | WO | disclosed |