⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL892818 | 1.00 | — | — | |
| SCHEMBL10934722 | 0.81 | CA2 (0.35) | — | |
| SCHEMBL4320983 | 0.72 | — | — | |
| Bromide SCHEMBL28782502 | 0.69 | CA2 (0.41) | — | |
| SCHEMBL23647292 | 0.69 | CA2 (0.44) | — | |
| SCHEMBL10835191 | 0.69 | CA2 (0.44) | — | |
| SCHEMBL11219700 | 0.69 | CA2 (0.44) | — | |
| SCHEMBL125032 | 0.69 | CA2 (0.44) | — | |
| SCHEMBL5668460 | 0.69 | CA2 (0.44) | — | |
| SCHEMBL14920 | 0.69 | CA2 (0.44) | — |
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-20110076572-A1 | NON-AQUEOUS ELECTROLYTES FOR ELECTROCHEMICAL CELLS | ENERGY, UNITED STATES DEPARTMENT OF | 2011-03-31 | — | — | US | disclosed |