⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL45627 | 0.95 | — | — | |
| Dioxane SCHEMBL28254776 | 0.82 | — | — | |
| Methoxymethane SCHEMBL346409 | 0.82 | — | — | |
| Tetrahydrofuran SCHEMBL2041223 | 0.82 | — | — | |
| Methoxymethane SCHEMBL4340994 | 0.80 | — | — | |
| Methoxymethane SCHEMBL9829152 | 0.79 | — | — | |
| Dioxane SCHEMBL6407595 | 0.78 | — | — | |
| SCHEMBL78595 | 0.78 | TTR (1.00) | — | |
| Dioxane SCHEMBL3631647 | 0.78 | TTR (1.00) | — | |
| SCHEMBL6057268 | 0.78 | TTR (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101707255-A | Novel flexible packing lithium battery | HUIZHOU DESAY POLYPOWER BATTER | 2010-05-12 | — | — | CN | claimed |
| CN-101707255-A | Novel flexible packing lithium battery | HUIZHOU DESAY POLYPOWER BATTER | 2010-05-12 | — | — | CN | disclosed |
| EP-0409003-B1 | Derivatives of compounds containing a carbonyl group conjugated to an aromatic moiety and electrophilic methods of fabrication thereof | IBM (US) | 1996-02-07 | — | — | EP | disclosed |
| US-5045159-A | Derivatives of compounds containing a carbonyl group conjugated to an aromatic moiety and electrophilic methods of fabrication thereof | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1991-09-03 | — | — | US | disclosed |
| EP-0409003-A2 | Derivatives of compounds containing a carbonyl group conjugated to an aromatic moiety and electrophilic methods of fabrication thereof | International Business Machines Corporation (US) | 1991-01-23 | — | — | EP | disclosed |