⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9684225 | 0.78 | BTK (0.34) | — | |
| SCHEMBL9685452 | 0.77 | BTK (0.32) | — | |
| SCHEMBL9683777 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL9417157 | 0.73 | — | — | |
| SCHEMBL9857582 | 0.72 | — | — | |
| SCHEMBL8839568 | 0.71 | PPARD (0.46) | — | |
| SCHEMBL9417126 | 0.70 | — | — | |
| SCHEMBL9677085 | 0.70 | — | — | |
| SCHEMBL9685413 | 0.68 | KDM4E (0.41) | — | |
| SCHEMBL13175308 | 0.67 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5166198-A | Herpes virus infections | BEECHAM P.L.C. (GB) | 1992-11-24 | — | — | US | disclosed |
| EP-0404296-A1 | Phosphono derivatives of purine with antiviral activity | Beecham Group p.l.c. (GB) | 1990-12-27 | — | — | EP | disclosed |