⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11600094 | 0.73 | — | — | |
| SCHEMBL7738258 | 0.69 | — | — | |
| SCHEMBL18397979 | 0.63 | — | — | |
| SCHEMBL7891950 | 0.63 | — | — | |
| SCHEMBL10446539 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL3062201 | 0.62 | — | — | |
| SCHEMBL3066035 | 0.62 | — | — | |
| SCHEMBL9770023 | 0.61 | KDM4E (0.35) | — | |
| SCHEMBL5146148 | 0.61 | — | — | |
| SCHEMBL434759 | 0.61 | CA1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7081533-B2 | Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation | DEGUSSA AG (DE) | 2006-07-25 | — | — | US | disclosed |
| EP-1311517-B1 | CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS | DEGUSSA (DE) | 2004-07-14 | — | — | EP | disclosed |
| US-20040019205-A1 | Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation | DEGUSSA AG (DE) | 2004-01-29 | — | — | US | disclosed |
| EP-1311517-A1 | CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS | Degussa AG (DE) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014330-A1 | CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS | DEGUSSA AG (DE) | 2002-02-21 | — | — | WO | disclosed |