⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27639979 | 0.82 | — | — | |
| SCHEMBL830591 | 0.82 | — | — | |
| SCHEMBL27909787 | 0.82 | — | — | |
| SCHEMBL16615988 | 0.82 | — | — | |
| SCHEMBL9651360 | 0.82 | — | — | |
| SCHEMBL245971 | 0.82 | — | — | |
| SCHEMBL3317273 | 0.67 | — | — | |
| Water SCHEMBL4371932 | 0.67 | — | — | |
| SCHEMBL6274991 | 0.67 | — | — | |
| SCHEMBL22730138 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005228653-A | NONAQUEOUS ELECTROLYTE SECONDARY BATTERY, POSITIVE ELECTRODE ACTIVE MATERIAL FOR IT, AND POSITIVE ELECTRODE MIXTURE FOR IT | NICHIA CHEM IND LTD | 2005-08-25 | — | — | JP | disclosed |