⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8763211 | 0.82 | — | — | |
| SCHEMBL29267760 | 0.79 | — | — | |
| SCHEMBL16281595 | 0.73 | — | — | |
| SCHEMBL29029893 | 0.73 | FDPS (0.30) | — | |
| SCHEMBL10710934 | 0.72 | — | — | |
| SCHEMBL28853895 | 0.72 | — | — | |
| SCHEMBL8830223 | 0.72 | FDPS (0.37) | — | |
| SCHEMBL13976955 | 0.71 | MGLL (0.38) | — | |
| SCHEMBL5874245 | 0.70 | FDPS (0.41) | — | |
| SCHEMBL3046515 | 0.70 | FDPS (0.31) | — |
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-20120190779-A1 | (POLY) PIPERAZINE PYROPHOSPHATE POWDER AND MANUFACTURING METHOD THEREFOR | SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2012-07-26 | — | — | US | disclosed |