⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3835888 | 0.76 | HSP90AA1 (0.31) | — | |
| SCHEMBL6987840 | 0.63 | — | — | |
| SCHEMBL561465 | 0.63 | — | — | |
| SCHEMBL1815177 | 0.57 | — | — | |
| SCHEMBL15386176 | 0.57 | CDC25B (0.41) | — | |
| SCHEMBL15326918 | 0.57 | — | — | |
| SCHEMBL7093159 | 0.57 | CYP11B1 (0.39) | — | |
| SCHEMBL4731060 | 0.56 | — | — | |
| SCHEMBL15386171 | 0.56 | BCL6 (0.40) | — | |
| SCHEMBL127479 | 0.56 | EGFR (0.50) | — |
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-5641763-A | N-phosphonylmethoxyalkyl derivatives of pyrimdine and purine bases and a therapeutical composition therefrom with antiviral activity | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-06-24 | — | — | US | claimed |