⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14640719 | 0.76 | — | — | |
| SCHEMBL22833573 | 0.75 | — | — | |
| SCHEMBL2535349 | 0.75 | — | — | |
| SCHEMBL307130 | 0.73 | CSNK2A2 (0.33) | — | |
| SCHEMBL2378140 | 0.72 | PHF8 (0.45) | — | |
| SCHEMBL20913633 | 0.70 | CPB2 (0.36) | — | |
| SCHEMBL22718313 | 0.69 | KDM5B (0.50) | — | |
| SCHEMBL306453 | 0.69 | POLB (0.33) | — | |
| SCHEMBL22833771 | 0.69 | KDM4C (0.42) | — | |
| SCHEMBL16323656 | 0.67 | LTA4H (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2528603-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS | Merck Sharp & Dohme Corp. (US) | 2012-12-05 | — | — | EP | disclosed |
| WO-2011094209-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATONS | MERCK SHARP & DOHME CORP. (US) | 2011-08-04 | — | — | WO | disclosed |
| US-20050059668-A1 | Substituted acylpiperazine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2005-03-17 | — | — | US | disclosed |