⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2641271 | 0.76 | — | — | |
| SCHEMBL18407845 | 0.76 | — | — | |
| SCHEMBL30762 | 0.74 | — | — | |
| SCHEMBL6897021 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7162864 | 0.72 | PIK3CD (0.47) | — | |
| Ammonia Solution, Strong SCHEMBL28118769 | 0.72 | PIK3CD (0.47) | — | |
| Methane SCHEMBL27440503 | 0.72 | PIK3CD (0.47) | — | |
| SCHEMBL9505380 | 0.71 | HDAC3 (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL11155607 | 0.71 | PIK3CD (0.46) | — | |
| SCHEMBL20599288 | 0.68 | CYP3A4 (0.42) | — |
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-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | claimed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |