⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16583446 | 0.65 | — | — | |
| SCHEMBL1192416 | 0.61 | — | — | |
| SCHEMBL8724945 | 0.61 | — | — | |
| SCHEMBL8729565 | 0.61 | — | — | |
| SCHEMBL9371530 | 0.59 | — | — | |
| SCHEMBL30980 | 0.56 | — | — | |
| SCHEMBL3480658 | 0.56 | — | — | |
| SCHEMBL134444 | 0.56 | — | — | |
| SCHEMBL5211 | 0.56 | — | — | |
| Ethylene Glycol SCHEMBL9721280 | 0.54 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7491859-B2 | Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein | SHELL OIL COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| US-7057082-B2 | Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein | SHELL OIL COMPANY (US) | 2006-06-06 | — | — | US | disclosed |
| US-20060084832-A1 | Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein | DRENT EIT | 2006-04-20 | — | — | US | disclosed |
| US-20040242949-A1 | Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein | DRENT EIT (NL) | 2004-12-02 | — | — | US | disclosed |
| US-6794553-B2 | LIGANDS CONTAINING PHOSPHINE, ARSINE OR STIBINE GROUPS, SUCH AS 1,3-BIS(DIETHYLPHOSPHINO)-PROPANE; NOVEL LIGANDS SUCH AS 1,3-BIS-(1,5- OR 1,4-CYCLOOCTYLENE-PHOSPHINO)-PROPANE; FORMING 1-OCTENE FROM 1,3-BUTADIENE | SHELL OIL COMPANY | 2004-09-21 | — | — | US | disclosed |
| EP-1444176-A2 | BIDENTATE LIGAND FOR THE TELOMERIZATION OF DIENES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2004-08-11 | — | — | EP | disclosed |
| US-20030130544-A1 | Process for the telomerization of a conjugated diene, catalyst and bidentate ligand useful therein | SHELL OIL COMPANY | 2003-07-10 | — | — | US | disclosed |
| WO-2003040065-A2 | BIDENTATE LIGAND FOR THE TELOMERIZATION OF DIENES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2003-05-15 | — | — | WO | disclosed |