⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276874 | 0.73 | — | — | |
| SCHEMBL22272039 | 0.73 | — | — | |
| SCHEMBL163513 | 0.73 | — | — | |
| SCHEMBL15141903 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL56088 | 0.73 | — | — | |
| SCHEMBL22598181 | 0.72 | — | — | |
| SCHEMBL13350361 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1933292 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL7500908 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5086872 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190031658-A1 | BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME | ONCOTARTIS INC. | 2019-01-31 | — | — | US | disclosed |