⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10279027 | 0.78 | — | — | |
| SCHEMBL1208482 | 0.71 | — | — | |
| SCHEMBL3311478 | 0.71 | — | — | |
| SCHEMBL1206992 | 0.71 | — | — | |
| SCHEMBL282246 | 0.71 | — | — | |
| SCHEMBL9782028 | 0.71 | — | — | |
| SCHEMBL11225943 | 0.68 | — | — | |
| SCHEMBL12128472 | 0.68 | — | — | |
| SCHEMBL13491637 | 0.68 | NPC1 (0.30) | — | |
| SCHEMBL17000223 | 0.68 | GABRA1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652178-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | H. Hoffnabb-La Roche Ag (CH) | 2020-05-20 | — | — | EP | disclosed |
| WO-2019012063-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2019-01-17 | — | — | WO | disclosed |
| EP-2935256-A1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014098831-A1 | 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-26 | — | — | WO | disclosed |
| WO-2010038081-A2 | HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |