⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL529293 | 0.88 | — | — | |
| SCHEMBL15388240 | 0.82 | — | — | |
| SCHEMBL22857698 | 0.65 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL31590418 | 0.59 | — | — | |
| SCHEMBL31384197 | 0.57 | — | — | |
| SCHEMBL329130 | 0.53 | — | — | |
| SCHEMBL27504683 | 0.52 | — | — | |
| SCHEMBL29205011 | 0.51 | — | — | |
| SCHEMBL8526388 | 0.51 | — | — | |
| SCHEMBL13156410 | 0.51 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008098032-A2 | USE OF LIGNOCELLULOSICS SOLVATED IN IONIC LIQUIDS FOR PRODUCTION OF BIOFUELS | NORTH CAROLINA STATE UNIVERSITY (US) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008098036-A1 | PRODUCT PREPARATION AND RECOVERY FROM THERMOLYSIS OF LIGNOCELLULOSICS IN IONIC LIQUIDS | NORTH CAROLINA STATE UNIVERSITY (US) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008098037-A2 | POLYMER DERIVATIVES AND COMPOSITES FROM THE DISSOLUTION OF LIGNOCELLULOSICS IN IONIC LIQUIDS | NORTH CAROLINA STATE UNIVERSITY (US) | 2008-08-14 | — | — | WO | disclosed |