⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24433740 | 0.75 | — | — | |
| SCHEMBL24433711 | 0.75 | — | — | |
| SCHEMBL14868578 | 0.72 | HSD11B1 (0.44) | — | |
| SCHEMBL24433713 | 0.70 | — | — | |
| SCHEMBL14868587 | 0.69 | RIPK1 (0.48) | — | |
| SCHEMBL14868434 | 0.68 | IAPP (0.37) | — | |
| SCHEMBL14868753 | 0.67 | — | — | |
| SCHEMBL14868694 | 0.67 | DRD2 (0.46) | — | |
| SCHEMBL14868649 | 0.66 | RIPK1 (0.48) | — | |
| SCHEMBL14868597 | 0.66 | GRIN2D (0.30) | — |
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-20220151957-A1 | BIGUANIDE COMPOSITIONS AND METHODS OF TREATING METABOLIC DISORDERS | ANJI PHARMACEUTICALS INC. | 2022-05-19 | — | — | US | disclosed |