⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14296454 | 0.83 | PRMT6 (0.33) | — | |
| SCHEMBL68926 | 0.77 | FASN (0.35) | — | |
| SCHEMBL28656921 | 0.74 | — | — | |
| SCHEMBL11166245 | 0.72 | FASN (0.33) | — | |
| SCHEMBL10386355 | 0.69 | CYP2C19 (0.43) | — | |
| Durohydroquinone SCHEMBL69786 | 0.69 | ALOX5 (0.38) | — | |
| SCHEMBL8417583 | 0.69 | IGF1R (0.34) | — | |
| SCHEMBL69870 | 0.69 | CYP2C19 (0.43) | — | |
| SCHEMBL6268331 | 0.69 | ALOX5 (0.36) | — | |
| SCHEMBL25327513 | 0.67 | ALOX5 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130225585-A1 | PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF | SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) | 2013-08-29 | — | — | US | disclosed |