⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10469800 | 0.71 | CA2 (0.33) | — | |
| SCHEMBL10717381 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL7986212 | 0.69 | — | — | |
| SCHEMBL8652753 | 0.59 | KDM4E (0.39) | — | |
| SCHEMBL24832 | 0.59 | — | — | |
| SCHEMBL10939433 | 0.57 | — | — | |
| SCHEMBL9593909 | 0.56 | — | — | |
| SCHEMBL4201234 | 0.56 | — | — | |
| SCHEMBL9816555 | 0.56 | — | — | |
| SCHEMBL1664161 | 0.56 | — | — |
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-0869947-A1 | NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997023465-A1 | NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1997-07-03 | — | — | WO | disclosed |