⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9417203 | 0.84 | ACHE (0.31) | — | |
| SCHEMBL9417129 | 0.84 | DAPK1 (0.33) | — | |
| SCHEMBL9187999 | 0.82 | ACHE (0.33) | — | |
| SCHEMBL9858058 | 0.79 | FGFR1 (0.30) | — | |
| SCHEMBL9417258 | 0.79 | — | — | |
| SCHEMBL9417200 | 0.78 | HPRT1 (0.46) | — | |
| SCHEMBL9417151 | 0.78 | NPY5R (0.30) | — | |
| SCHEMBL9417133 | 0.78 | ACHE (0.36) | — | |
| SCHEMBL9417136 | 0.78 | ADORA2A (0.39) | — | |
| SCHEMBL9555763 | 0.78 | ADORA2A (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0319228-B1 | Novel compounds | BEECHAM GROUP PLC (GB) | 1994-11-02 | — | — | EP | disclosed |
| US-5247085-A | Phosphonate containing purine compounds | BEECHAM GROUP P.L.C. (GB) | 1993-09-21 | — | — | US | disclosed |
| EP-0319228-A2 | Novel compounds | BEECHAM GROUP PLC (GB) | 1989-06-07 | — | — | EP | disclosed |