⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2931933 | 0.73 | THRB (0.47) | — | |
| SCHEMBL4093693 | 0.71 | — | — | |
| SCHEMBL9174950 | 0.71 | THRB (0.38) | — | |
| SCHEMBL863251 | 0.69 | THRB (0.36) | — | |
| SCHEMBL9068991 | 0.69 | — | — | |
| SCHEMBL7071002 | 0.69 | — | — | |
| SCHEMBL2050944 | 0.69 | — | — | |
| SCHEMBL332697 | 0.69 | THRB (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL10801236 | 0.69 | THRB (0.42) | — | |
| SCHEMBL15194636 | 0.69 | — | — |
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 |
| US-5530082-A | DRY STORAGE STABLE MIXTURE OF POLYSILOXANE WHICH CURES TO ELASTOMER WITH MOISTURE AT ROOM TEMPERATURE, SILANE CROSSLINKING AGENT, ORGANIC TITANIUM CATALYST AND ADHESION PROMOTER | BAYER AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |