⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3315130 | 0.88 | — | — | |
| SCHEMBL21828670 | 0.77 | — | — | |
| SCHEMBL29160394 | 0.70 | — | — | |
| SCHEMBL13744046 | 0.65 | — | — | |
| SCHEMBL22339883 | 0.65 | — | — | |
| SCHEMBL28420184 | 0.65 | — | — | |
| SCHEMBL2869173 | 0.65 | — | — | |
| SCHEMBL13744344 | 0.65 | — | — | |
| SCHEMBL23913150 | 0.61 | — | — | |
| SCHEMBL13744047 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106537664-A | Nonaqueous electrolyte compositions comprising cyclic sulfates and lithium borates | 纳幕尔杜邦公司 | 2017-03-22 | — | — | CN | disclosed |