⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1549774 | 0.80 | — | — | |
| SCHEMBL28481304 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL2782555 | 0.67 | — | — | |
| SCHEMBL28401776 | 0.66 | — | — | |
| SCHEMBL23242506 | 0.65 | — | — | |
| SCHEMBL25433869 | 0.64 | — | — | |
| SCHEMBL28638347 | 0.64 | — | — | |
| SCHEMBL401957 | 0.57 | — | — | |
| SCHEMBL7402424 | 0.57 | — | — | |
| SCHEMBL2125972 | 0.55 | — | — |
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-107739365-B | Preparation method of benzo [ b ] [1,4] oxathiacyclohex-3-yl methanol | 北京化工大学 | 2020-05-19 | — | — | CN | disclosed |
| EP-1954132-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | Renovis, Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007100758-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | RENOVIS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |