⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16588428 | 0.89 | — | — | |
| SCHEMBL16588418 | 0.87 | — | — | |
| SCHEMBL16807007 | 0.81 | — | — | |
| SCHEMBL16806992 | 0.78 | — | — | |
| SCHEMBL1050458 | 0.77 | CA1 (0.31) | — | |
| SCHEMBL16684100 | 0.69 | — | — | |
| SCHEMBL1054207 | 0.68 | — | — | |
| SCHEMBL5533086 | 0.66 | CA1 (0.31) | — | |
| SCHEMBL8958437 | 0.66 | CA1 (0.31) | — | |
| SCHEMBL1049087 | 0.66 | CA1 (0.31) | — |
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-20190312307-A1 | Nonaqueous Electrolytic Solution and Nonaqueous Electrolytic Solution Secondary Battery | CENTRAL GLASS COMPANY LIMITED (JP) | 2019-10-10 | — | — | US | disclosed |