⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2370563 | 0.90 | — | — | |
| SCHEMBL2371260 | 0.81 | BACE1 (0.36) | — | |
| SCHEMBL2370595 | 0.81 | BACE1 (0.35) | — | |
| SCHEMBL2370899 | 0.81 | BACE1 (0.35) | — | |
| SCHEMBL15134960 | 0.79 | BACE1 (0.33) | — | |
| SCHEMBL15134958 | 0.79 | BACE1 (0.33) | — | |
| SCHEMBL2370687 | 0.75 | BACE1 (0.41) | — | |
| SCHEMBL2371091 | 0.74 | USP30 (0.30) | — | |
| SCHEMBL2370944 | 0.70 | BACE1 (0.38) | — | |
| SCHEMBL2370685 | 0.70 | BACE1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2547686-A1 | AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE | Amgen Inc. (US) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011115928-A1 | AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE | AMGEN INC. (US) | 2011-09-22 | — | — | WO | disclosed |