⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29864 | 0.98 | — | — | |
| SCHEMBL930016 | 0.98 | ALDH1A1 (0.43) | — | |
| SCHEMBL28043440 | 0.95 | — | — | |
| Water SCHEMBL29955863 | 0.95 | — | — | |
| Formaldehyde SCHEMBL15128928 | 0.93 | ALDH1A1 (0.41) | — | |
| Methylamine SCHEMBL27945137 | 0.91 | NOS2 (0.41) | — | |
| Fluoromethane SCHEMBL28100324 | 0.91 | ALDH1A1 (0.44) | — | |
| Trimethylammonium SCHEMBL27558428 | 0.89 | ALDH1A1 (0.44) | — | |
| Formic Acid SCHEMBL28287318 | 0.89 | ALDH1A1 (0.39) | — | |
| Formamide SCHEMBL28186344 | 0.87 | ALDH1A1 (0.38) | — |
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-2760841-A1 | PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013045400-A1 | PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2013-04-04 | — | — | WO | disclosed |