⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5052796 | 0.59 | — | — | |
| SCHEMBL19561629 | 0.57 | — | — | |
| SCHEMBL14135157 | 0.56 | — | — | |
| SCHEMBL10589196 | 0.56 | — | — | |
| SCHEMBL855124 | 0.47 | — | — | |
| SCHEMBL10103187 | 0.45 | — | — | |
| SCHEMBL2633016 | 0.43 | — | — | |
| SCHEMBL10044093 | 0.43 | — | — | |
| Hydrochloric Acid SCHEMBL15239537 | 0.41 | — | — | |
| SCHEMBL148004 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3088384-A1 | ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF | Merial, Inc. (US) | 2016-11-02 | — | — | EP | disclosed |