⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10588188 | 1.00 | — | — | |
| SCHEMBL29135572 | 0.77 | — | — | |
| SCHEMBL29670700 | 0.72 | — | — | |
| SCHEMBL9692437 | 0.70 | — | — | |
| SCHEMBL8996349 | 0.67 | — | — | |
| SCHEMBL28646796 | 0.67 | — | — | |
| SCHEMBL336082 | 0.67 | — | — | |
| SCHEMBL31627209 | 0.67 | — | — | |
| SCHEMBL336081 | 0.67 | — | — | |
| Bromide SCHEMBL2308687 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2573854-B1 | NON-AQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY | MITSUI CHEMICALS INC (JP) | 2017-01-04 | — | — | EP | disclosed |
| US-8993158-B2 | Nonaqueous electrolyte solution containing silyl ester group-containing phosphonic acid derivative, and lithium secondary battery | MITSUI CHEMICALS, INC. (JP) | 2015-03-31 | — | — | US | disclosed |
| EP-2573854-A1 | NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY | Mitsui Chemicals, Inc. (JP) | 2013-03-27 | — | — | EP | disclosed |
| US-20130071732-A1 | NONAQUEOUS ELECTROLYTE SOLUTION CONTAINING SILYL ESTER GROUP-CONTAINING PHOSPHONIC ACID DERIVATIVE, AND LITHIUM SECONDARY BATTERY | MITSUI CHEMICALS, INC. (JP) | 2013-03-21 | — | — | US | disclosed |
| EP-0329851-A2 | Process for reducing the halogen content of polycarbosilanes and polysilanes | WACKER-CHEMIE GMBH (DE) | 1989-08-30 | — | — | EP | disclosed |