⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7696374 | 0.86 | — | — | |
| SCHEMBL28810981 | 0.85 | CHRM2 (0.31) | — | |
| SCHEMBL18418957 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL51692 | 0.79 | — | — | |
| SCHEMBL26189385 | 0.79 | LMNA (0.40) | — | |
| SCHEMBL5051429 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL15461829 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL29618937 | 0.75 | — | — | |
| SCHEMBL20695318 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL2833285 | 0.74 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1960456-A1 | NOVEL ENERGETIC POLYPHOSPHAZENES | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2008-08-27 | — | — | EP | disclosed |
| WO-2006032882-A1 | NOVEL ENERGETIC POLYPHOSPHAZENES | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2006-03-30 | — | — | WO | disclosed |