⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13657281 | 0.75 | MAOA (0.32) | — | |
| SCHEMBL20969186 | 0.75 | — | — | |
| SCHEMBL9279934 | 0.75 | MAOA (0.32) | — | |
| SCHEMBL10986962 | 0.72 | MKNK1 (0.30) | — | |
| SCHEMBL20969202 | 0.72 | PSEN1 (0.31) | — | |
| SCHEMBL10938530 | 0.71 | MAPT (0.33) | — | |
| SCHEMBL10935590 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL10937868 | 0.70 | MAPT (0.33) | — | |
| SCHEMBL10399375 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL11283022 | 0.67 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2008022462-A1 | PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME | UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) | 2008-02-28 | — | — | WO | disclosed |