⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18176772 | 0.83 | NLRP3 (0.34) | — | |
| SCHEMBL11777389 | 0.80 | TSHR (0.36) | — | |
| SCHEMBL2105485 | 0.78 | CA1 (0.33) | — | |
| Water SCHEMBL27889342 | 0.77 | CA2 (0.33) | — | |
| SCHEMBL11776855 | 0.77 | FAAH (0.42) | — | |
| SCHEMBL7670446 | 0.76 | — | — | |
| SCHEMBL3938270 | 0.76 | — | — | |
| SCHEMBL18176765 | 0.75 | NLRP3 (0.41) | — | |
| SCHEMBL27717869 | 0.75 | NLRP3 (0.32) | — | |
| SCHEMBL576168 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170222277-A1 | ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2017-08-03 | — | — | US | disclosed |
| US-20160315354-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2016-10-27 | — | — | US | disclosed |