⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22200079 | 0.80 | — | — | |
| SCHEMBL22200075 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL22200078 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL22200081 | 0.69 | TSHR (0.44) | — | |
| SCHEMBL22200076 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL11481556 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL22200074 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL22200072 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL22200085 | 0.64 | TSHR (0.37) | — | |
| SCHEMBL16210033 | 0.63 | FAAH (0.43) | — |
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-20200220222-A1 | NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, AND ENERGY DEVICE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-07-09 | — | — | US | disclosed |