⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7077149 | 0.70 | HPGDS (0.31) | — | |
| SCHEMBL4440111 | 0.67 | MAPT (0.46) | — | |
| SCHEMBL899400 | 0.65 | ADORA2A (0.32) | — | |
| SCHEMBL7073225 | 0.65 | ADORA3 (0.30) | — | |
| SCHEMBL7071992 | 0.64 | PIK3CD (0.31) | — | |
| SCHEMBL15545185 | 0.58 | ADORA2A (0.42) | — | |
| SCHEMBL1551877 | 0.58 | ADORA2A (0.42) | — | |
| SCHEMBL8826186 | 0.55 | GPR39 (0.32) | — | |
| SCHEMBL27502939 | 0.54 | NOS1 (0.31) | — | |
| SCHEMBL729468 | 0.53 | HTT (0.51) | — |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |