⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL150687 | 0.78 | — | — | |
| SCHEMBL6466885 | 0.76 | — | — | |
| SCHEMBL6240800 | 0.76 | — | — | |
| SCHEMBL7246168 | 0.76 | — | — | |
| SCHEMBL771164 | 0.73 | — | — | |
| SCHEMBL3914364 | 0.73 | PIK3CA (0.37) | — | |
| SCHEMBL1515429 | 0.73 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL1092283 | 0.73 | P4HTM (0.33) | — | |
| SCHEMBL341747 | 0.71 | — | — | |
| SCHEMBL12961895 | 0.71 | — | — |
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 |