⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8592828 | 0.81 | — | — | |
| SCHEMBL6970218 | 0.79 | — | — | |
| SCHEMBL148962 | 0.79 | — | — | |
| SCHEMBL455410 | 0.79 | — | — | |
| SCHEMBL27623450 | 0.76 | — | — | |
| SCHEMBL247631 | 0.76 | — | — | |
| SCHEMBL28027939 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL175249 | 0.75 | ALDH1A1 (0.67) | — | |
| SCHEMBL19691137 | 0.75 | ALDH1A1 (0.55) | — | |
| SCHEMBL12124477 | 0.75 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112079769-A | Carboxamide compounds for the treatment of metabolic disorders | 里格尔药品股份有限公司 | 2020-12-15 | — | — | CN | disclosed |
| CN-106928211-B | Carboxamide compounds for the treatment of metabolic disorders | 里格尔药品股份有限公司 | 2020-09-08 | — | — | CN | disclosed |