⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13611577 | 0.98 | PPARA (0.42) | — | |
| SCHEMBL1300301 | 0.81 | — | — | |
| SCHEMBL1569417 | 0.81 | — | — | |
| SCHEMBL15746825 | 0.79 | PPARA (0.44) | — | |
| SCHEMBL23930790 | 0.79 | — | — | |
| SCHEMBL309595 | 0.79 | — | — | |
| SCHEMBL10039866 | 0.79 | — | — | |
| SCHEMBL21958207 | 0.79 | — | — | |
| SCHEMBL22394539 | 0.79 | — | — | |
| SCHEMBL28890406 | 0.79 | — | — |
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-20090318548-A1 | PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME | UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) | 2009-12-24 | — | — | US | disclosed |