⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24521521 | 0.83 | CA1 (0.34) | — | |
| SCHEMBL31723003 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL24521531 | 0.79 | CA12 (0.35) | — | |
| SCHEMBL22681114 | 0.70 | — | — | |
| SCHEMBL24521570 | 0.68 | — | — | |
| SCHEMBL26522952 | 0.64 | — | — | |
| SCHEMBL26048235 | 0.62 | — | — | |
| SCHEMBL9220303 | 0.61 | — | — | |
| SCHEMBL16802918 | 0.61 | FAAH (0.32) | — | |
| SCHEMBL24521474 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4016686-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE BATTERY AND COMPOUND | Central Glass Co., Ltd. (JP) | 2022-06-22 | — | — | EP | disclosed |