⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9500555 | 1.00 | — | — | |
| SCHEMBL1516769 | 0.87 | KDM4E (0.44) | — | |
| SCHEMBL1516784 | 0.87 | KDM4E (0.44) | — | |
| Phosphoric Acid SCHEMBL7639279 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL516348 | 0.77 | — | — | |
| SCHEMBL9445995 | 0.74 | — | — | |
| SCHEMBL9446001 | 0.74 | — | — | |
| SCHEMBL302228 | 0.73 | — | — | |
| SCHEMBL370886 | 0.71 | — | — | |
| SCHEMBL3397260 | 0.71 | — | — |
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-0539487-A1 | ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES | BEECHAM GROUP PLC (GB) | 1993-05-05 | — | — | EP | disclosed |
| WO-1992001698-A1 | ANTIVIRAL PHOSPHONO-ALKEN DERIVATIVES OF PURINES | BEECHAM GROUP PLC (GB) | 1992-02-06 | — | — | WO | disclosed |