⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7509149 | 0.95 | — | — | |
| SCHEMBL8909887 | 0.92 | NPSR1 (0.32) | — | |
| SCHEMBL2330931 | 0.89 | — | — | |
| SCHEMBL17039354 | 0.75 | — | — | |
| SCHEMBL6079637 | 0.75 | — | — | |
| SCHEMBL6076880 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL17039350 | 0.70 | CACNA1B (0.32) | — | |
| SCHEMBL68738 | 0.69 | — | — | |
| SCHEMBL6234742 | 0.69 | — | — | |
| SCHEMBL6960090 | 0.69 | CACNA1B (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7098217-B2 | 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-29 | — | — | US | disclosed |
| US-20050026937-A1 | 3,7-dihydro-purine-2,6-dione derivatives as CRF receptor ligands | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2005-02-03 | — | — | US | disclosed |