⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16528070 | 0.76 | — | — | |
| SCHEMBL8564369 | 0.76 | — | — | |
| SCHEMBL7101727 | 0.74 | — | — | |
| SCHEMBL17030635 | 0.73 | — | — | |
| SCHEMBL29807506 | 0.71 | — | — | |
| SCHEMBL9338758 | 0.71 | — | — | |
| SCHEMBL11431308 | 0.71 | — | — | |
| SCHEMBL28847933 | 0.71 | TRPV6 (0.30) | — | |
| SCHEMBL3910477 | 0.70 | PPARG (0.31) | — | |
| SCHEMBL4211073 | 0.68 | — | — |
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-1945620-A2 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007056366-A2 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-05-18 | — | — | WO | disclosed |