⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30341409 | 0.76 | DPP4 (0.41) | — | |
| SCHEMBL30874863 | 0.75 | ALDH1A1 (0.35) | — | |
| SCHEMBL30874841 | 0.72 | CFD (0.35) | — | |
| SCHEMBL30874959 | 0.72 | CNR2 (0.37) | — | |
| SCHEMBL30874871 | 0.67 | PIK3CA (0.34) | — | |
| SCHEMBL30874907 | 0.65 | PLAU (0.36) | — | |
| SCHEMBL8773843 | 0.63 | — | — | |
| SCHEMBL29230804 | 0.62 | CFD (0.33) | — | |
| SCHEMBL24664591 | 0.62 | CFD (0.33) | — | |
| SCHEMBL29230807 | 0.62 | CFD (0.33) | — |
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-117956985-A | Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof | 梅兹治疗公司 | 2024-04-30 | — | — | CN | disclosed |