⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL249488 | 0.85 | — | — | |
| SCHEMBL22638882 | 0.83 | — | — | |
| Fluoride SCHEMBL28445156 | 0.83 | — | — | |
| SCHEMBL7402682 | 0.70 | — | — | |
| Oxazole SCHEMBL28690876 | 0.67 | — | — | |
| SCHEMBL5095771 | 0.67 | — | — | |
| SCHEMBL29103311 | 0.62 | — | — | |
| SCHEMBL29452673 | 0.60 | — | — | |
| SCHEMBL3083556 | 0.57 | — | — | |
| Phosphonic Acid SCHEMBL15572224 | 0.53 | — | — |
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-20080076738-A1 | Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds | GILEAD SCIENCES, INC. | 2008-03-27 | — | — | US | disclosed |
| US-20060116356-A1 | Phosphonate analogs of HIV integrase inhibitor compounds | GILEAD SCIENCES, INC. | 2006-06-01 | — | — | US | disclosed |