⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15648067 | 0.80 | — | — | |
| SCHEMBL24276956 | 0.78 | — | — | |
| SCHEMBL1245535 | 0.76 | MAPK1 (0.47) | — | |
| SCHEMBL27921698 | 0.76 | — | — | |
| SCHEMBL31305748 | 0.75 | HCAR3 (0.37) | — | |
| SCHEMBL19299878 | 0.75 | MAPK1 (0.32) | — | |
| SCHEMBL4422664 | 0.74 | — | — | |
| SCHEMBL3452780 | 0.71 | DYRK1A (0.34) | — | |
| SCHEMBL24276774 | 0.70 | — | — | |
| SCHEMBL27865500 | 0.69 | ALPL (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103130796-B | A kind of 3-t-butylpyrazol amides and application thereof | QINGDAO UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) | 2015-07-29 | — | — | CN | disclosed |
| CN-103109816-B | Thiobenzamide compounds and application thereof | UNIV QINGDAO SCIENCE & TECHNOLOGY | 2014-09-10 | — | — | CN | disclosed |