⚠ 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 | |
|---|---|---|---|---|
| Butyric Acid SCHEMBL9841144 | 0.82 | FFAR3 (0.43) | — | |
| SCHEMBL29448861 | 0.77 | — | — | |
| SCHEMBL410865 | 0.76 | — | — | |
| SCHEMBL6884809 | 0.75 | — | — | |
| SCHEMBL6272771 | 0.74 | — | — | |
| SCHEMBL19543362 | 0.74 | — | — | |
| SCHEMBL10470115 | 0.74 | — | — | |
| SCHEMBL17947391 | 0.74 | — | — | |
| SCHEMBL16689673 | 0.70 | — | — | |
| SCHEMBL7989396 | 0.70 | — | — |
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 |