⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL612528 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL175866 | 0.77 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL28514951 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL28433286 | 0.75 | HDAC6 (0.41) | — | |
| SCHEMBL8630003 | 0.74 | ALDH1A1 (0.34) | — | |
| Acetic Acid SCHEMBL28451523 | 0.74 | ALDH1A1 (0.34) | — | |
| Sulfur Dioxide SCHEMBL28461053 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL11555341 | 0.70 | — | — | |
| SCHEMBL5922614 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL1514909 | 0.67 | — | — |
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-20090092832-A1 | GLASS FIBRES COATED WITH SIZE CONTAINING NANOPARTICLES | SAINT-GOBAIN TECHNICAL FABRICS EUROPE (FR) | 2009-04-09 | — | — | US | disclosed |
| US-20090017301-A1 | GLASS FIBRES AND GLASS FIBRE STRUCTURES PROVIDED WITH A COATING CONTAINING NANOPARTICLES | SSINT-GOBAIN TECHNICAL FABRICS EUROPE (FR) | 2009-01-15 | — | — | US | disclosed |