⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18269529 | 0.65 | — | — | |
| SCHEMBL13462483 | 0.65 | — | — | |
| SCHEMBL4379893 | 0.63 | — | — | |
| SCHEMBL4379891 | 0.63 | — | — | |
| SCHEMBL24414645 | 0.62 | — | — | |
| SCHEMBL5668997 | 0.58 | — | — | |
| SCHEMBL14212817 | 0.56 | — | — | |
| SCHEMBL28777045 | 0.56 | — | — | |
| SCHEMBL16711472 | 0.56 | — | — | |
| SCHEMBL9316013 | 0.51 | — | — |
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-8642798-B2 | Silacycle compounds and methods of use thereof | THE TRUSTEE OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-02-04 | — | — | US | disclosed |
| US-20080167468-A1 | using the diastereomeric mixture of Silacycle Compounds for stereoselective synthesis | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2008-07-10 | — | — | US | disclosed |