⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL87398 | 0.77 | BACE1 (0.35) | — | |
| SCHEMBL51483 | 0.77 | BACE1 (0.35) | — | |
| SCHEMBL51484 | 0.77 | BACE1 (0.35) | — | |
| SCHEMBL51485 | 0.77 | BACE1 (0.35) | — | |
| SCHEMBL63060 | 0.77 | BACE1 (0.35) | — | |
| SCHEMBL13691658 | 0.75 | CTSB (0.39) | — | |
| SCHEMBL10226513 | 0.69 | SLC6A2 (0.43) | — | |
| SCHEMBL17548301 | 0.69 | — | — | |
| SCHEMBL10226514 | 0.69 | SLC6A2 (0.43) | — | |
| SCHEMBL19575551 | 0.69 | CHRM3 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |