⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12248045 | 0.79 | — | — | |
| SCHEMBL14682779 | 0.79 | — | — | |
| SCHEMBL5868349 | 0.77 | — | — | |
| SCHEMBL19500034 | 0.75 | — | — | |
| SCHEMBL28390743 | 0.74 | — | — | |
| SCHEMBL2551822 | 0.73 | — | — | |
| SCHEMBL10952271 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL17323054 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL3670284 | 0.72 | — | — | |
| SCHEMBL19817570 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160346256-A1 | AMIDE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2016-12-01 | — | — | US | disclosed |
| US-20140296306-A1 | AMIDE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2014-10-02 | — | — | US | disclosed |
| US-20120322837-A1 | AMIDE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2012-12-20 | — | — | US | disclosed |