⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15302178 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL15302177 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL8955878 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL7611471 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL336094 | 0.73 | — | — | |
| SCHEMBL5114842 | 0.73 | — | — | |
| SCHEMBL15302792 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL15302791 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL9181457 | 0.69 | — | — | |
| SCHEMBL15092008 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2145650-A | — | — | None | — | — | JP | disclosed |
| JP-2145649-A | — | — | None | — | — | JP | disclosed |
| JP-6049413-A | — | — | None | — | — | JP | disclosed |
| 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 |
| JP-H0649413-A | ORGANOPOLYSILOXANE COMPOSITION FOR FORMING PEELABLE CURED FILM | TORAY DOW CORNING SILICONE CO LTD | 1994-02-22 | — | — | JP | disclosed |
| JP-H02145649-A | ORGANOPOLYSILOXANE COMPOSITION FOR FORMING PEELABLE AND CURABLE COATING FILM | TORAY DOW CORNING SILICONE CO LTD | 1990-06-05 | — | — | JP | disclosed |
| JP-H02145650-A | ORGANOPOLYSILOXANE COMPOSITION CAPABLE OF FORMING PEELABLE FILM | TORAY DOW CORNING SILICONE CO LTD | 1990-06-05 | — | — | JP | disclosed |