⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27703740 | 0.87 | — | — | |
| SCHEMBL6598573 | 0.87 | — | — | |
| SCHEMBL12003552 | 0.85 | — | — | |
| SCHEMBL18889524 | 0.85 | — | — | |
| SCHEMBL27852335 | 0.82 | — | — | |
| SCHEMBL15547628 | 0.81 | DRD2 (0.53) | — | |
| SCHEMBL1663372 | 0.80 | — | — | |
| SCHEMBL1437933 | 0.80 | DRD2 (0.51) | — | |
| SCHEMBL6753273 | 0.80 | — | — | |
| SCHEMBL28713971 | 0.80 | — | — |
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-1149063-B1 | UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS | SMITHKLINE BEECHAM CORP (US) | 2004-12-15 | — | — | EP | disclosed |
| EP-1149063-A2 | UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS | GLAXO GROUP LIMITED (GB) | 2001-10-31 | — | — | EP | disclosed |
| US-6306854-B1 | ARYLTHIOALKYLACIDS AND ALKYL UREAS | GLAXOSMITHKLINE | 2001-10-23 | — | — | US | disclosed |
| WO-2000023407-A2 | UREIDO-THIOBUTYRIC ACID DERIVATIVES AS PPAR-AGONISTS | GLAXO GROUP LIMITED (GB) | 2000-04-27 | — | — | WO | disclosed |