⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL21987861 | 1.00 | — | — | |
| Fluoride SCHEMBL29262547 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL2804149 | 0.82 | — | — | |
| Fluoride SCHEMBL4733595 | 0.82 | — | — | |
| Fluoride SCHEMBL874219 | 0.82 | — | — | |
| Fluoride SCHEMBL23610939 | 0.82 | — | — | |
| Fluoride SCHEMBL274533 | 0.82 | — | — | |
| Fluoride SCHEMBL1948471 | 0.82 | OXTR (0.50) | — | |
| Fluoride SCHEMBL393697 | 0.82 | — | — | |
| Fluoride SCHEMBL23610938 | 0.82 | OXTR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019189749-A1 | METHOD FOR PRODUCING MORPHINAN DERIVATIVES | 日本ケミファ株式会社 | 2019-10-03 | — | — | WO | disclosed |
| CN-104285332-B | Nonaqueous electrolytic solution and employ the electric energy storage device of nonaqueous electrolytic solution | 宇部兴产株式会社 | 2016-08-24 | — | — | CN | disclosed |
| US-9362590-B2 | Lithium ion secondary battery | SEKISUI CHEMICAL CO., LTD. (JP) | 2016-06-07 | — | — | US | disclosed |
| CN-104285332-A | Non-aqueous electrolyte and power storage device using same | UBE INDUSTRIES | 2015-01-14 | — | — | CN | disclosed |
| US-20130273436-A1 | LITHIUM ION SECONDARY BATTERY | MIE UNIVERSITY (JP) | 2013-10-17 | — | — | US | disclosed |