⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9640005 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL7784551 | 0.75 | GRIK1 (0.32) | — | |
| SCHEMBL9282007 | 0.69 | GRM3 (0.33) | — | |
| SCHEMBL7600439 | 0.67 | GRIK1 (0.33) | — | |
| SCHEMBL8731754 | 0.67 | GRIK1 (0.37) | — | |
| SCHEMBL5420620 | 0.66 | GRIK1 (0.39) | — | |
| SCHEMBL9785440 | 0.66 | GRIK1 (0.39) | — | |
| SCHEMBL17757012 | 0.66 | GRIK1 (0.39) | — | |
| SCHEMBL4562097 | 0.65 | GRIK1 (0.36) | — | |
| SCHEMBL11000169 | 0.65 | GRIK1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1719795-A1 | Reaction products of phosphonoesters with alcohols or amines | Huntsman Textile Effects (Germany) GmbH (DE) | 2006-11-08 | — | — | EP | disclosed |