⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7676604 | 0.79 | — | — | |
| SCHEMBL15346171 | 0.77 | — | — | |
| SCHEMBL11501723 | 0.76 | — | — | |
| SCHEMBL1005943 | 0.76 | ADH1B (0.45) | — | |
| SCHEMBL4920164 | 0.74 | ADH1B (0.43) | — | |
| SCHEMBL5038379 | 0.74 | ADH1B (0.43) | — | |
| SCHEMBL4919942 | 0.74 | ADH1B (0.43) | — | |
| SCHEMBL10969088 | 0.72 | — | — | |
| SCHEMBL9624660 | 0.71 | HRH4 (0.47) | — | |
| SCHEMBL2478778 | 0.71 | HRH4 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101212903-B | Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity | SHIONOGI & CO | 2013-07-24 | — | — | CN | disclosed |
| CN-101212903-A | Polycyclic carbamoylpyridone derivatives having HIV integrase inhibitory activity | SMITHKLINE BEECHAM CORP (US) | 2008-07-02 | — | — | CN | disclosed |