⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11897699 | 0.72 | — | — | |
| SCHEMBL778264 | 0.69 | CES1 (0.30) | — | |
| SCHEMBL776069 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL21824 | 0.67 | — | — | |
| SCHEMBL776237 | 0.67 | — | — | |
| SCHEMBL28202115 | 0.67 | — | — | |
| SCHEMBL2607863 | 0.65 | — | — | |
| SCHEMBL779800 | 0.65 | CA2 (0.37) | — | |
| Norflurane SCHEMBL8440733 | 0.64 | CA1 (0.35) | — | |
| SCHEMBL776008 | 0.63 | CA2 (0.46) | — |
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-20170162906-A1 | NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2017-06-08 | — | — | US | disclosed |