⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51652 | 0.86 | OGFRL1 (0.33) | — | |
| SCHEMBL62081 | 0.81 | CHRNB2 (0.34) | — | |
| SCHEMBL51875 | 0.81 | CHRNB2 (0.34) | — | |
| SCHEMBL51828 | 0.78 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL61820 | 0.78 | OGFRL1 (0.37) | — | |
| SCHEMBL62910 | 0.77 | OGFRL1 (0.35) | — | |
| SCHEMBL51877 | 0.77 | OGFRL1 (0.32) | — | |
| SCHEMBL51443 | 0.75 | CHRNB2 (0.47) | — | |
| SCHEMBL63465 | 0.67 | GRM1 (0.34) | — | |
| SCHEMBL13691642 | 0.65 | OGFRL1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280981-B1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-04-23 | — | — | EP | disclosed |
| 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 |