⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18462902 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL13452216 | 0.73 | USP2 (0.33) | — | |
| SCHEMBL6049890 | 0.73 | CYP3A4 (0.38) | — | |
| SCHEMBL16491432 | 0.73 | — | — | |
| SCHEMBL333050 | 0.73 | — | — | |
| SCHEMBL18162764 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL7650901 | 0.71 | CYP3A4 (0.41) | — | |
| SCHEMBL3265871 | 0.71 | CYP3A4 (0.37) | — | |
| SCHEMBL3423069 | 0.71 | — | — | |
| SCHEMBL15388998 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3764451-A1 | ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2021-01-13 | — | — | EP | disclosed |
| US-20170040612-A1 | BINDER FOR LITHIUM CELL | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2017-02-09 | — | — | US | disclosed |
| US-20150287993-A1 | BINDER FOR LITHIUM CELL, COMPOSITION FOR PRODUCING ELECTRODE, AND ELECTRODE | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2015-10-08 | — | — | US | disclosed |