⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2191505 | 1.00 | — | — | |
| SCHEMBL7680569 | 1.00 | — | — | |
| Ethane SCHEMBL1077980 | 0.78 | — | — | |
| Fluoromethane SCHEMBL1332103 | 0.67 | — | — | |
| SCHEMBL2264969 | 0.67 | — | — | |
| Fluoromethane SCHEMBL4546506 | 0.67 | — | — | |
| Fluoromethane SCHEMBL9526 | 0.67 | — | — | |
| Fluoromethane SCHEMBL12394789 | 0.67 | — | — | |
| Fluoromethane SCHEMBL18662867 | 0.67 | — | — | |
| Fluoromethane SCHEMBL23067607 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8110695-B2 | Compounds and compositions containing silicon and/or other heteroatoms and/or metals and methods of making and using them | WELKER MARK E (US) | 2012-02-07 | — | — | US | disclosed |
| US-20100056801-A1 | Compounds And Compositions Containing Silicon And/Or Other Heteroatoms And/Or Metals And Methods of Making And Using Them | WELKER MARK E | 2010-03-04 | — | — | US | disclosed |
| WO-2008054718-A2 | COMPOUNDS AND COMPOSITIONS CONTAINING SILICON AND/OR OTHER HETEROATOMS AND/OR METALS AND METHODS OF MAKING AND USING THEM | WAKE FOREST UNIVERSITY (US) | 2008-05-08 | — | — | WO | disclosed |