⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9445836 | 0.79 | NFE2L2 (0.31) | — | |
| SCHEMBL3146565 | 0.68 | PRSS1 (0.33) | — | |
| Pulegone SCHEMBL3064832 | 0.63 | PTPN2 (0.35) | — | |
| Pulegone SCHEMBL27243547 | 0.61 | ALDH1A1 (0.34) | — | |
| Pulegone SCHEMBL8836768 | 0.61 | ALDH1A1 (0.34) | — | |
| Pulegone SCHEMBL23752046 | 0.61 | ALDH1A1 (0.34) | — | |
| Pulegone SCHEMBL8836781 | 0.61 | ALDH1A1 (0.34) | — | |
| Pulegone SCHEMBL9292430 | 0.61 | PTPN2 (0.38) | — | |
| SCHEMBL3534609 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL9301348 | 0.60 | HSP90AA1 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7763739-B2 | bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts | Evonik Degussa, GmbH (DE) | 2010-07-27 | — | — | US | disclosed |
| US-7763739-B2 | bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts | Evonik Degussa, GmbH (DE) | 2010-07-27 | — | — | US | disclosed |
| US-20080306264-A1 | bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts | DEGUSSA AG (DE) | 2008-12-11 | — | — | US | disclosed |
| US-20080306264-A1 | bidentante optionally N-containing P-ligands embracing a two-ring-system; for transition metal complexes to be used as catalysts | DEGUSSA AG (DE) | 2008-12-11 | — | — | US | disclosed |