⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5015018 | 0.91 | CA1 (0.31) | — | |
| SCHEMBL4448130 | 0.83 | CA2 (0.35) | — | |
| SCHEMBL5016925 | 0.76 | — | — | |
| SCHEMBL1618000 | 0.76 | CA2 (0.34) | — | |
| Tetrylammonium SCHEMBL1618712 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL6856521 | 0.74 | CA2 (0.35) | — | |
| Tetramethylammonium Ion SCHEMBL14953647 | 0.73 | CA2 (0.41) | — | |
| SCHEMBL4442234 | 0.73 | EPHX1 (0.35) | — | |
| SCHEMBL30197064 | 0.72 | CA2 (0.46) | — | |
| SCHEMBL4447831 | 0.71 | CA2 (0.35) | — |
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-7407725-B2 | Non-aqueous electrolyte secondary cell | SANYO ELECTRIC CO., LTD. (JP) | 2008-08-05 | — | — | US | claimed |