⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1636870 | 0.81 | NOS3 (0.31) | — | |
| SCHEMBL4613066 | 0.74 | — | — | |
| SCHEMBL1818185 | 0.72 | — | — | |
| SCHEMBL18896 | 0.71 | — | — | |
| SCHEMBL1813317 | 0.70 | TYR (0.36) | — | |
| SCHEMBL7468203 | 0.70 | OPRK1 (0.30) | — | |
| SCHEMBL7464253 | 0.70 | — | — | |
| SCHEMBL23531515 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL9982849 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL3888279 | 0.68 | 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-20050123439-A1 | Device for sensing contaminants | EASTMAN KODAK COMPANY | 2005-06-09 | — | — | US | disclosed |
| US-4365032-A | ANTIOXIDANTS FOR POLYMERS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1982-12-21 | — | — | US | disclosed |