⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4408167 | 1.00 | — | — | |
| SCHEMBL27698636 | 0.85 | FDPS (0.37) | — | |
| SCHEMBL7673135 | 0.78 | FDPS (0.39) | — | |
| SCHEMBL7678061 | 0.74 | CA12 (0.32) | — | |
| SCHEMBL20328013 | 0.74 | — | — | |
| SCHEMBL3127254 | 0.74 | — | — | |
| SCHEMBL7675689 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL4419564 | 0.72 | PGR (0.32) | — | |
| SCHEMBL10272319 | 0.71 | — | — | |
| SCHEMBL3306232 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0148883-B1 | ALLOPURINOL PRODRUGS | A/S GEA Farmaceutisk Fabrik (DK) | 1990-02-14 | — | — | EP | disclosed |
| US-4694006-A | Acyl- or acyloxymethyl-allopurinol prodrugs | A/S GEA (DK) | 1987-09-15 | — | — | US | disclosed |
| EP-0148883-A1 | ALLOPURINOL PRODRUGS. | GEA AS (DK) | 1985-07-24 | — | — | EP | disclosed |
| WO-1985000368-A1 | ALLOPURINOL PRODRUGS | A/S GEA (DK) | 1985-01-31 | — | — | WO | disclosed |