⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3159144 | 0.81 | IDO1 (0.31) | — | |
| SCHEMBL476648 | 0.79 | MPL (0.40) | — | |
| SCHEMBL10589453 | 0.72 | CA2 (0.44) | — | |
| SCHEMBL2811681 | 0.69 | — | — | |
| SCHEMBL30991139 | 0.69 | IDO1 (0.37) | — | |
| SCHEMBL19463523 | 0.66 | — | — | |
| SCHEMBL18700936 | 0.65 | CA12 (0.41) | — | |
| SCHEMBL25450845 | 0.64 | CA2 (0.40) | — | |
| SCHEMBL6740132 | 0.64 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL188437 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |