⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL316704 | 0.77 | — | — | |
| SCHEMBL3908683 | 0.72 | CETP (0.31) | — | |
| SCHEMBL1768456 | 0.64 | AOC3 (0.50) | — | |
| SCHEMBL13138787 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL16043867 | 0.63 | ADORA2A (0.33) | — | |
| SCHEMBL16042659 | 0.63 | ADORA2A (0.33) | — | |
| SCHEMBL316417 | 0.63 | AHR (0.50) | — | |
| SCHEMBL31085202 | 0.63 | AHR (0.50) | — | |
| SCHEMBL13962152 | 0.63 | KIF11 (0.40) | — | |
| SCHEMBL17265676 | 0.62 | CYP2A6 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011061439-A1 | CATALYTIC PHOSPHINATION METHOD | UNIVERSITE DE STRASBOURG (FR) | 2011-05-26 | — | — | WO | disclosed |