⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL433941 | 1.00 | — | — | |
| SCHEMBL431488 | 0.99 | — | — | |
| SCHEMBL446498 | 0.96 | — | — | |
| SCHEMBL448735 | 0.96 | — | — | |
| SCHEMBL448704 | 0.94 | — | — | |
| SCHEMBL431494 | 0.91 | — | — | |
| SCHEMBL433770 | 0.90 | — | — | |
| SCHEMBL433783 | 0.89 | — | — | |
| SCHEMBL446701 | 0.89 | — | — | |
| SCHEMBL433944 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |