⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170169 | 0.91 | — | — | |
| SCHEMBL11121127 | 0.91 | NLRP3 (0.30) | — | |
| Arsenic SCHEMBL6849957 | 0.89 | FUCA1 (0.31) | — | |
| SCHEMBL9217773 | 0.73 | — | — | |
| SCHEMBL17980332 | 0.71 | — | — | |
| SCHEMBL38663786 | 0.71 | — | — | |
| SCHEMBL28750133 | 0.70 | — | — | |
| SCHEMBL150045 | 0.69 | — | — | |
| SCHEMBL3437221 | 0.69 | — | — | |
| SCHEMBL241738 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090317626-A1 | USE OF AQUEOUS COMPOSITE PARTICLE DISPERSIONS AS BINDING AGENTS IN COATINGS FOR TIMBER | BASF SE (DE) | 2009-12-24 | — | — | US | disclosed |