⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7852764 | 0.80 | CHRNB2 (0.31) | — | |
| SCHEMBL5828013 | 0.74 | — | — | |
| SCHEMBL15421220 | 0.74 | ACHE (0.56) | — | |
| SCHEMBL10975004 | 0.74 | — | — | |
| SCHEMBL2494427 | 0.72 | — | — | |
| SCHEMBL934950 | 0.71 | — | — | |
| SCHEMBL6830550 | 0.70 | — | — | |
| SCHEMBL27838 | 0.70 | — | — | |
| SCHEMBL28199897 | 0.70 | — | — | |
| SCHEMBL15285323 | 0.70 | — | — |
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-6495540-B2 | HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR | BRISTOL - MYERS SQUIBB PHARMA COMPANY | 2002-12-17 | — | — | US | claimed |
| US-20020010172-A1 | Lactams as inhibitors of A-beta protein production | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-01-24 | — | — | US | claimed |
| EP-1267906-A1 | LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION | Bristol-Myers Squibb Pharma Company (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6495540-B2 | HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR | BRISTOL - MYERS SQUIBB PHARMA COMPANY | 2002-12-17 | — | — | US | disclosed |
| US-20020010172-A1 | Lactams as inhibitors of A-beta protein production | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-01-24 | — | — | US | disclosed |
| WO-2001072324-A1 | LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-10-04 | — | — | WO | disclosed |