⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2447355 | 0.80 | — | — | |
| SCHEMBL1691304 | 0.80 | — | — | |
| SCHEMBL2011670 | 0.80 | — | — | |
| SCHEMBL3368976 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL1023585 | 0.75 | KAT2B (0.39) | — | |
| Hydrochloric Acid SCHEMBL3966982 | 0.73 | KAT2B (0.38) | — | |
| SCHEMBL4691011 | 0.72 | EPHX1 (0.34) | — | |
| SCHEMBL11257428 | 0.71 | — | — | |
| SCHEMBL13262429 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL26834 | 0.70 | SERPINE1 (0.38) | — |
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-1068210-A2 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051604-A2 | PROCESS FOR THE PRODUCTION OF PURINE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1999-10-14 | — | — | WO | disclosed |