⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10710934 | 0.79 | — | — | |
| SCHEMBL3046515 | 0.77 | FDPS (0.31) | — | |
| SCHEMBL15572944 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL15571858 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL15572306 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL15570571 | 0.75 | FDPS (0.30) | — | |
| Phosphonic Acid SCHEMBL3924540 | 0.75 | FDPS (0.30) | — | |
| SCHEMBL4921168 | 0.73 | L3MBTL1 (0.34) | — | |
| SCHEMBL11949479 | 0.73 | — | — | |
| SCHEMBL15570949 | 0.71 | L3MBTL1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2468738-B1 | (POLY) PIPERAZINE PYROPHOSPHATE POWDER AND MANUFACTURING METHOD THEREFOR | SAKAI CHEMICAL INDUSTRY CO (JP) | 2014-12-10 | — | — | EP | disclosed |