⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27871297 | 0.78 | GAA (0.39) | — | |
| SCHEMBL1696901 | 0.74 | — | — | |
| SCHEMBL23829703 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL11519037 | 0.69 | — | — | |
| SCHEMBL3167061 | 0.69 | — | — | |
| SCHEMBL8097150 | 0.68 | CYP2D6 (0.36) | — | |
| Acetic Acid SCHEMBL17110506 | 0.68 | CYP2C19 (0.36) | — | |
| SCHEMBL957404 | 0.67 | — | — | |
| SCHEMBL27805390 | 0.67 | — | — | |
| SCHEMBL6211387 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102482212-B | Carboxamide compounds and they are as the purposes of calpain inhibitor | ABBVIE (US) | 2015-08-26 | — | — | CN | disclosed |