⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3863153 | 0.91 | — | — | |
| SCHEMBL9318011 | 0.81 | — | — | |
| SCHEMBL11570011 | 0.74 | — | — | |
| SCHEMBL5704641 | 0.73 | — | — | |
| SCHEMBL8595366 | 0.73 | — | — | |
| SCHEMBL7765610 | 0.73 | — | — | |
| SCHEMBL11793245 | 0.71 | — | — | |
| SCHEMBL11509547 | 0.71 | — | — | |
| SCHEMBL3182678 | 0.71 | — | — | |
| SCHEMBL5136461 | 0.71 | — | — |
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-20060211724-A1 | Hiv integrase inhibitors | VERSCHUEREN GASTON W | 2006-09-21 | — | — | US | disclosed |