⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6921656 | 0.88 | PRKAB2 (0.39) | — | |
| SCHEMBL6919462 | 0.88 | SLC6A3 (0.47) | — | |
| SCHEMBL6921108 | 0.86 | — | — | |
| SCHEMBL12640697 | 0.86 | — | — | |
| SCHEMBL6921357 | 0.86 | SLC6A3 (0.49) | — | |
| SCHEMBL6920922 | 0.85 | — | — | |
| SCHEMBL6920463 | 0.84 | — | — | |
| SCHEMBL6919892 | 0.84 | — | — | |
| SCHEMBL6919988 | 0.80 | NPC1 (0.40) | — | |
| SCHEMBL6919793 | 0.80 | SLC6A3 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011076678-A1 | SUBSTITUTED BENZAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-30 | — | — | WO | disclosed |
| US-20110152245-A1 | SUBSTITUTED BENZAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | US | disclosed |