⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446135 | 0.95 | — | — | |
| SCHEMBL446647 | 0.93 | — | — | |
| SCHEMBL451512 | 0.93 | — | — | |
| SCHEMBL447895 | 0.86 | — | — | |
| SCHEMBL450021 | 0.80 | — | — | |
| SCHEMBL447061 | 0.71 | — | — | |
| SCHEMBL451206 | 0.71 | — | — | |
| SCHEMBL447776 | 0.71 | — | — | |
| SCHEMBL447362 | 0.69 | — | — | |
| SCHEMBL450364 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2435446-B1 | FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2016-11-30 | — | — | EP | disclosed |
| US-8920679-B2 | Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same | 3M INNOVATIVE PROPERTIES CO. (US) | 2014-12-30 | — | — | US | disclosed |
| US-20120061620-A1 | Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same | 3M INNOVATIVE PROPERTIES COMPANY | 2012-03-15 | — | — | US | disclosed |