⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1117851 | 1.00 | — | — | |
| SCHEMBL1117692 | 0.79 | — | — | |
| SCHEMBL30707557 | 0.76 | — | — | |
| SCHEMBL28161001 | 0.72 | — | — | |
| SCHEMBL30063053 | 0.71 | — | — | |
| SCHEMBL30491981 | 0.70 | — | — | |
| SCHEMBL28631179 | 0.69 | TP53 (0.34) | — | |
| SCHEMBL3969262 | 0.65 | — | — | |
| SCHEMBL8993425 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3963502 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |