⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20059 | 0.74 | — | — | |
| SCHEMBL7250508 | 0.74 | — | — | |
| SCHEMBL20060 | 0.74 | — | — | |
| SCHEMBL1441828 | 0.74 | — | — | |
| SCHEMBL2102830 | 0.72 | — | — | |
| SCHEMBL11656426 | 0.72 | — | — | |
| SCHEMBL2102829 | 0.72 | — | — | |
| SCHEMBL6157760 | 0.72 | — | — | |
| SCHEMBL12477577 | 0.72 | — | — | |
| SCHEMBL6157767 | 0.72 | — | — |
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-7135542-B2 | Bidentate ligands for the carbonylation of unsaturated compounds | SHELL OIL COMPANY (US) | 2006-11-14 | — | — | US | disclosed |
| EP-1444241-B1 | BIDENDATE LIGANDS FOR THE CARBONYLATION OF UNSATURATED COMPOUNDS | SHELL INT RESEARCH (NL) | 2005-10-05 | — | — | EP | disclosed |
| US-20040259724-A1 | Bidentate ligands for the carbonylation of unsaturated compounds | SHELL OIL COMPANY | 2004-12-23 | — | — | US | disclosed |
| EP-1444241-A2 | BIDENDATE LIGANDS FOR THE CARBONYLATION OF UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040159-A2 | BIDENTATE LIGANDS FOR THE CARBONYLATION OF UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2003-05-15 | — | — | WO | disclosed |