⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5017046 | 0.88 | — | — | |
| SCHEMBL27725528 | 0.88 | CA2 (0.30) | — | |
| SCHEMBL10497834 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL5014689 | 0.76 | — | — | |
| SCHEMBL2420701 | 0.72 | — | — | |
| SCHEMBL10497844 | 0.70 | ALDH1A1 (0.56) | — | |
| SCHEMBL5014697 | 0.70 | — | — | |
| SCHEMBL6342061 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL5015063 | 0.69 | — | — | |
| SCHEMBL5014704 | 0.68 | — | — |
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-101188314-A | Ionic compound, electrolytic solution, electrochemical device, and battery | SONY CORP (JP) | 2008-05-28 | — | — | CN | disclosed |
| US-20080118845-A1 | IONIC COMPOUND, ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, AND BATTERY | SONY CORPORATION (JP) | 2008-05-22 | — | — | US | disclosed |