⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18202152 | 0.84 | KEAP1 (0.33) | — | |
| SCHEMBL18199059 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL18199074 | 0.77 | — | — | |
| SCHEMBL18199066 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL5485323 | 0.73 | GPR3 (0.36) | — | |
| SCHEMBL18199061 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL18199067 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL18199060 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL18202151 | 0.67 | GPR3 (0.40) | — | |
| SCHEMBL18202175 | 0.64 | KEAP1 (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-20160322667-A1 | CYCLIC SULFONIC ACID ESTER COMPOUND, NON-AQUEOUS ELECTROLYTE SOLUTION, AND LITHIUM ION SECONDARY BATTERY USING SAME | NEC CORPORATION (JP) | 2016-11-03 | — | — | US | disclosed |