⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6545410 | 0.81 | ADORA2A (0.50) | — | |
| SCHEMBL1179274 | 0.79 | — | — | |
| SCHEMBL30711544 | 0.79 | — | — | |
| SCHEMBL22766467 | 0.77 | — | — | |
| SCHEMBL10854983 | 0.77 | — | — | |
| SCHEMBL28902025 | 0.76 | CHRNB2 (0.42) | — | |
| SCHEMBL31461865 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL2530739 | 0.76 | CHRNB2 (0.42) | — | |
| SCHEMBL8325639 | 0.76 | ALDH1A1 (0.52) | — | |
| SCHEMBL17672492 | 0.75 | CHRNB2 (0.46) | — |
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 |