⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15934175 | 0.93 | — | — | |
| SCHEMBL8052 | 0.78 | — | — | |
| SCHEMBL4587884 | 0.76 | — | — | |
| SCHEMBL11821255 | 0.76 | — | — | |
| SCHEMBL2786900 | 0.70 | — | — | |
| SCHEMBL946850 | 0.70 | — | — | |
| SCHEMBL23942057 | 0.68 | — | — | |
| SCHEMBL31288014 | 0.68 | — | — | |
| SCHEMBL8065247 | 0.68 | — | — | |
| SCHEMBL12873386 | 0.67 | ALDH1A1 (0.42) | — |
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-1383774-B1 | DIHYDROIMIDAZO¬4,5-E INDOLE AND 7H-PYRROLO¬3,2-F QUINOXALINE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS | MERCK PATENT GMBH (DE) | 2008-05-07 | — | — | EP | claimed |
| WO-1995031449-A1 | NOVEL 3,5-DIMETHYLPIPERIDIN-1-YLALKYL ESTERS | SANOFI (FR) | 1995-11-23 | — | — | WO | disclosed |