⚠ 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 | |
|---|---|---|---|---|
| Silicate SCHEMBL4763464 | 0.94 | — | — | |
| Silicate SCHEMBL253837 | 0.94 | — | — | |
| Silicate SCHEMBL2582680 | 0.89 | — | — | |
| Silicate SCHEMBL15738916 | 0.89 | — | — | |
| Silicate SCHEMBL15738833 | 0.89 | — | — | |
| Silicate SCHEMBL664233 | 0.89 | — | — | |
| Silicate SCHEMBL15738462 | 0.89 | — | — | |
| Silicate SCHEMBL23282464 | 0.88 | — | — | |
| Silicate SCHEMBL1958085 | 0.88 | — | — | |
| Silicate SCHEMBL20943437 | 0.88 | — | — |
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-20140147744-A1 | POSTIVE ELECTRODE MATERIAL FOR LITHIUM ION SECONDARY BATTERY, POSITIVE ELECTRODE FOR LITHIUM ION SECONDARY BATTERY, AND LITHIUM ION SECONDARY BATTERY | SHOEI CHEMICAL INC. (JP) | 2014-05-29 | — | — | US | disclosed |