⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14997807 | 0.81 | — | — | |
| SCHEMBL9845276 | 0.78 | — | — | |
| SCHEMBL9575502 | 0.73 | — | — | |
| SCHEMBL6988663 | 0.73 | — | — | |
| SCHEMBL24858363 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL25459932 | 0.70 | LMNA (0.45) | — | |
| SCHEMBL20438401 | 0.69 | — | — | |
| SCHEMBL9828695 | 0.69 | — | — | |
| SCHEMBL24091659 | 0.69 | — | — | |
| SCHEMBL5959322 | 0.67 | — | — |
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-0452680-B1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AG (DE) | 1996-11-06 | — | — | EP | disclosed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |