⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20528031 | 0.72 | — | — | |
| SCHEMBL28008808 | 0.67 | — | — | |
| SCHEMBL27433072 | 0.67 | — | — | |
| SCHEMBL22776135 | 0.67 | — | — | |
| SCHEMBL27705004 | 0.63 | — | — | |
| SCHEMBL20828 | 0.60 | — | — | |
| SCHEMBL20827 | 0.60 | — | — | |
| Bicarbonate SCHEMBL22735044 | 0.58 | THRB (0.32) | — | |
| SCHEMBL27436384 | 0.57 | — | — | |
| SCHEMBL1358704 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3621141-A1 | NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2020-03-11 | — | — | EP | disclosed |
| US-10577313-B2 | Method for producing sulfoxide derivative | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2020-03-03 | — | — | US | disclosed |