⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3296301 | 0.98 | — | — | |
| SCHEMBL2644925 | 0.73 | — | — | |
| SCHEMBL3025296 | 0.69 | — | — | |
| SCHEMBL1986936 | 0.65 | KDM4E (0.50) | — | |
| SCHEMBL6889807 | 0.61 | PGK1 (0.32) | — | |
| SCHEMBL9789602 | 0.57 | HPGD (0.49) | — | |
| SCHEMBL486333 | 0.56 | — | — | |
| SCHEMBL232549 | 0.56 | SRC (0.60) | — | |
| SCHEMBL3084158 | 0.54 | — | — | |
| Formic Acid SCHEMBL31384252 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004106349-A1 | FUEL CELL MEMBRANE CONTAINING ZIRCONIUM PHOSPHATE | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-12-09 | — | — | WO | claimed |
| WO-2004106349-A1 | FUEL CELL MEMBRANE CONTAINING ZIRCONIUM PHOSPHATE | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2004-12-09 | — | — | WO | disclosed |