⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2428030 | 0.84 | HSD17B1 (0.33) | — | |
| SCHEMBL2015118 | 0.83 | MAPK1 (0.30) | — | |
| SCHEMBL2012242 | 0.77 | MAPK1 (0.38) | — | |
| SCHEMBL2013348 | 0.76 | TAAR1 (0.39) | — | |
| SCHEMBL6391148 | 0.76 | — | — | |
| SCHEMBL17514950 | 0.74 | — | — | |
| SCHEMBL4790399 | 0.74 | CYP2A6 (0.44) | — | |
| SCHEMBL2050039 | 0.73 | TAAR1 (0.37) | — | |
| SCHEMBL2014554 | 0.73 | TAAR1 (0.34) | — | |
| SCHEMBL7025055 | 0.73 | ADORA2B (0.40) | — |
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-7348456-B2 | Substituted amides | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-20060106071-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2006-05-18 | — | — | US | disclosed |