⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3667703 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL8686964 | 0.79 | — | — | |
| SCHEMBL6950682 | 0.77 | — | — | |
| SCHEMBL18967752 | 0.77 | — | — | |
| SCHEMBL8572251 | 0.72 | — | — | |
| SCHEMBL6451600 | 0.72 | — | — | |
| SCHEMBL8942761 | 0.70 | — | — | |
| SCHEMBL14855811 | 0.70 | — | — | |
| SCHEMBL11686522 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL11686526 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452908-B2 | Amide derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-11-18 | — | — | US | disclosed |
| US-7034039-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-04-25 | — | — | US | disclosed |
| US-20040204369-A1 | Novel amide derivatives | MSD K.K. (JP) | 2004-10-14 | — | — | US | disclosed |
| US-20040082607-A1 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-04-29 | — | — | 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 |