⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9522800 | 0.94 | — | — | |
| SCHEMBL35635 | 0.94 | — | — | |
| SCHEMBL601538 | 0.94 | — | — | |
| Charcoal, Activated SCHEMBL31374645 | 0.90 | — | — | |
| SCHEMBL28596885 | 0.90 | — | — | |
| SCHEMBL3792720 | 0.90 | — | — | |
| SCHEMBL5088515 | 0.90 | — | — | |
| SCHEMBL3794683 | 0.90 | — | — | |
| SCHEMBL31067417 | 0.90 | — | — | |
| SCHEMBL29118947 | 0.90 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014006433-A2 | PROCESS FOR THE ACTIVATION OF THE C-H BOND OF ORGANIC COMPOUNDS AND A REACTIONS SYSTEM SERVING THE PROCESS | DEBRECENI EGYETEM (HU) | 2014-01-09 | — | — | WO | disclosed |