⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17943 | 1.00 | — | — | |
| Charcoal, Activated SCHEMBL5349148 | 0.91 | — | — | |
| SCHEMBL7655670 | 0.91 | — | — | |
| SCHEMBL29942251 | 0.91 | — | — | |
| Fluoride SCHEMBL2218394 | 0.91 | — | — | |
| Methane SCHEMBL28164206 | 0.91 | — | — | |
| Ethane SCHEMBL23783458 | 0.84 | — | — | |
| Chloromethane SCHEMBL28515947 | 0.84 | — | — | |
| SCHEMBL141893 | 0.84 | — | — | |
| SCHEMBL2218395 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102249968-B | Synthetic method for sulforaphane | UNIV CHANGZHOU | 2013-07-17 | — | — | CN | disclosed |
| EP-1708999-A1 | BRONCHORELAXING COMPOUNDS | RESPIRATORIUS AB (SE) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005070887-A1 | BRONCHORELAXING COMPOUNDS | RESPIRATORIUS AB (SE) | 2005-08-04 | — | — | WO | disclosed |