⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13749821 | 0.74 | — | — | |
| SCHEMBL3038426 | 0.74 | TDP1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL3682014 | 0.72 | TDP1 (0.43) | — | |
| SCHEMBL1318404 | 0.70 | — | — | |
| SCHEMBL3044962 | 0.69 | TDP1 (0.40) | — | |
| SCHEMBL2219653 | 0.67 | — | — | |
| SCHEMBL3040137 | 0.67 | TDP1 (0.39) | — | |
| SCHEMBL3391945 | 0.65 | — | — | |
| Tert-Butyl Formate SCHEMBL2252376 | 0.65 | TDP1 (0.72) | — | |
| Tert-Butyl Formate SCHEMBL28884215 | 0.65 | TDP1 (0.72) | — |
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-103930426-B | As [1,2,3] triazols [4, the 5-D] pyrimidine derivatives of Cannabined receptor 2 activators | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-11 | — | — | CN | disclosed |
| CN-1256326-C | Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency | HOFFMANN LA ROCHE (CH) | 2006-05-17 | — | — | CN | disclosed |
| CN-1202152-A | Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency | HOFFMANN LA ROCHE (CH) | 1998-12-16 | — | — | CN | disclosed |