⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9555542 | 0.87 | FAP (0.36) | — | |
| SCHEMBL9555536 | 0.87 | FAP (0.36) | — | |
| SCHEMBL9555589 | 0.85 | MAPK1 (0.33) | — | |
| SCHEMBL9417164 | 0.84 | FAP (0.35) | — | |
| SCHEMBL9857998 | 0.82 | ABCB11 (0.31) | — | |
| SCHEMBL9685628 | 0.79 | — | — | |
| SCHEMBL9296023 | 0.78 | — | — | |
| SCHEMBL9295525 | 0.78 | — | — | |
| SCHEMBL9555806 | 0.77 | — | — | |
| SCHEMBL9685635 | 0.72 | — | — |
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-5247085-A | Phosphonate containing purine compounds | BEECHAM GROUP P.L.C. (GB) | 1993-09-21 | — | — | US | disclosed |
| EP-0405748-A1 | Phosphonoderivative of purine with antiviral activity | Beecham Group p.l.c. (GB) | 1991-01-02 | — | — | EP | disclosed |