⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL629092 | 0.80 | — | — | |
| SCHEMBL630410 | 0.78 | — | — | |
| SCHEMBL16345183 | 0.61 | — | — | |
| SCHEMBL6182001 | 0.60 | — | — | |
| SCHEMBL251591 | 0.59 | — | — | |
| SCHEMBL3317399 | 0.57 | — | — | |
| SCHEMBL2394208 | 0.57 | — | — | |
| SCHEMBL6030417 | 0.56 | — | — | |
| SCHEMBL17967557 | 0.55 | — | — | |
| SCHEMBL3636557 | 0.50 | — | — |
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-2744788-A1 | BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013028382-A1 | BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| EP-1749002-A1 | PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY | F.HOFFMANN-LA ROCHE AG (CH) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005108393-A1 | PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-17 | — | — | WO | disclosed |