⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12700522 | 0.86 | — | — | |
| SCHEMBL28271126 | 0.80 | — | — | |
| SCHEMBL12844710 | 0.76 | STS (0.30) | — | |
| SCHEMBL1170177 | 0.68 | — | — | |
| SCHEMBL11192740 | 0.67 | — | — | |
| SCHEMBL7175456 | 0.67 | — | — | |
| SCHEMBL11061993 | 0.64 | — | — | |
| SCHEMBL499462 | 0.62 | — | — | |
| SCHEMBL9304709 | 0.60 | — | — | |
| SCHEMBL46409 | 0.60 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | disclosed |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |