⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9449766 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL4805086 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL6608637 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2537855 | 0.71 | GABRR3 (0.32) | — | |
| SCHEMBL2873372 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL4855011 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL610853 | 0.67 | TDP1 (0.36) | — | |
| SCHEMBL131046 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL1176372 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL327516 | 0.65 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193270-B2 | Method of making composites and nanocomposites | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2012-06-05 | — | — | US | disclosed |
| WO-2008103593-A1 | POWDER COATING FLUOROPOLYMER COMPOSITIONS WITH DEPROTECTABLE AROMATIC MATERIALS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2008-08-28 | — | — | WO | disclosed |
| US-20060128867-A1 | Method of making composites and nanocomposites | 3M INNOVATIVE PROPERTIES COMPANY | 2006-06-15 | — | — | US | disclosed |