⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL231277 | 0.73 | — | — | |
| SCHEMBL1697717 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL2201358 | 0.72 | — | — | |
| SCHEMBL22686099 | 0.72 | — | — | |
| Water SCHEMBL9825001 | 0.71 | TRPA1 (0.31) | — | |
| SCHEMBL5611414 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL11166128 | 0.69 | — | — | |
| SCHEMBL19548460 | 0.67 | — | — | |
| SCHEMBL13296092 | 0.66 | — | — | |
| SCHEMBL220893 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104106162-A | Active material for negative electrode of nonaqueous secondary battery, negative electrode using same, and nonaqueous secondary battery | MITSUBISHI CHEM CORP | 2014-10-15 | — | — | CN | disclosed |
| CN-104025366-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2014-09-03 | — | — | CN | disclosed |