⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8524652 | 0.60 | — | — | |
| Alloxan SCHEMBL9652639 | 0.60 | KDM4E (0.44) | — | |
| SCHEMBL367522 | 0.60 | — | — | |
| SCHEMBL11214931 | 0.59 | — | — | |
| SCHEMBL2729732 | 0.55 | — | — | |
| SCHEMBL324918 | 0.55 | — | — | |
| SCHEMBL3754347 | 0.55 | — | — | |
| SCHEMBL4328507 | 0.55 | — | — | |
| SCHEMBL921850 | 0.53 | — | — | |
| SCHEMBL4669134 | 0.51 | P2RX7 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6004966-A | ANTIISCHEMIC AGENTS; PYRAZOLO(3,4-D)PYRIMIDINDE, PURINE, ANDPTERIDINE DERIVATIVES | BTG INTERNATIONAL LIMITED (GB) | 1999-12-21 | — | — | US | disclosed |
| EP-0796099-A1 | USE OF XANTHINE OXIDASE INHIBITORS AS ANTI-ISCHAEMIC AGENTS | BTG INTERNATIONAL LIMITED (GB) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996017610-A1 | USE OF XANTHINE OXIDASE INHIBITORS AS ANTI-ISCHAEMIC AGENTS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1996-06-13 | — | — | WO | disclosed |