⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL777065 | 0.97 | — | — | |
| Methane SCHEMBL776980 | 0.94 | — | — | |
| Ethane SCHEMBL775542 | 0.94 | ALDH1A1 (0.32) | — | |
| Benzene SCHEMBL776855 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL9742863 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL27670477 | 0.75 | — | — | |
| Fluoride SCHEMBL779997 | 0.73 | CYP2C19 (0.36) | — | |
| SCHEMBL4129612 | 0.73 | — | — | |
| SCHEMBL4135095 | 0.73 | — | — | |
| SCHEMBL2491577 | 0.73 | — | — |
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-103259044-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEMICAL CORP. (JP) | 2016-02-10 | — | — | CN | disclosed |