⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14301905 | 0.67 | — | — | |
| SCHEMBL4529080 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL9025457 | 0.59 | — | — | |
| SCHEMBL175598 | 0.59 | — | — | |
| SCHEMBL177146 | 0.59 | — | — | |
| SCHEMBL3886042 | 0.59 | — | — | |
| SCHEMBL509342 | 0.56 | — | — | |
| SCHEMBL14776864 | 0.56 | — | — | |
| SCHEMBL3888120 | 0.56 | — | — | |
| SCHEMBL11041209 | 0.56 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | claimed |
| 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 |
| CN-102893443-B | Nonaqueous electrolyte solution containing silyl ester group-containing phosphonic acid derivative, and lithium secondary battery | MITSUI CHEMICALS, INC. (JP) | 2015-12-16 | — | — | CN | 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 |
| CN-102893443-A | Nonaqueous electrolyte solution containing silyl ester group-containing phosphonic acid derivative, and lithium secondary battery | MITSUI CHEMICALS INC | 2013-01-23 | — | — | CN | disclosed |