⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13691451 | 0.93 | — | — | |
| SCHEMBL13657354 | 0.84 | RORC (0.37) | — | |
| SCHEMBL13657353 | 0.77 | RORC (0.38) | — | |
| SCHEMBL51559 | 0.73 | CTSS (0.38) | — | |
| SCHEMBL63524 | 0.71 | CTSS (0.37) | — | |
| SCHEMBL13691697 | 0.71 | CTSS (0.37) | — | |
| SCHEMBL14064605 | 0.69 | NPSR1 (0.37) | — | |
| SCHEMBL14422266 | 0.68 | NPSR1 (0.34) | — | |
| SCHEMBL1169979 | 0.68 | NPSR1 (0.34) | — | |
| SCHEMBL1169566 | 0.67 | NPSR1 (0.35) | — |
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 1 patent. 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 |