⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1988793 | 0.89 | — | — | |
| SCHEMBL29538406 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1994771 | 0.88 | — | — | |
| SCHEMBL24890719 | 0.87 | HRH3 (0.53) | — | |
| SCHEMBL1992358 | 0.83 | — | — | |
| SCHEMBL1992357 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL1990929 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1990926 | 0.82 | — | — | |
| SCHEMBL1991364 | 0.78 | — | — | |
| SCHEMBL29536513 | 0.78 | — | — |
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 1 patent. 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 |