⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7573454 | 0.76 | — | — | |
| SCHEMBL4280331 | 0.72 | SLC22A6 (0.43) | — | |
| SCHEMBL11140563 | 0.72 | SLC22A6 (0.43) | — | |
| Bicarbonate SCHEMBL27528810 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL7203018 | 0.71 | TSHR (0.53) | — | |
| SCHEMBL3129296 | 0.70 | — | — | |
| SCHEMBL4610511 | 0.70 | — | — | |
| SCHEMBL415931 | 0.70 | — | — | |
| SCHEMBL4406594 | 0.70 | — | — | |
| SCHEMBL7416325 | 0.68 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1521738-B1 | METHOD FOR MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS | INVISTA TEXTILES (U K ) LTD (GB) | 2017-11-01 | — | — | EP | disclosed |
| EP-1521736-B1 | MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS | INVISTA TECHNOLOGIES SARL (CH) | 2017-09-13 | — | — | EP | disclosed |
| US-7531682-B2 | Method for making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2009-05-12 | — | — | US | disclosed |
| US-7442825-B2 | Making nitrile compounds from ethylenically unsaturated compounds | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2008-10-28 | — | — | US | disclosed |
| US-7253298-B2 | Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2007-08-07 | — | — | US | disclosed |
| US-20060128980-A1 | Method for making nitrile compounds from ethylenically unsaturated compounds | INVISTA NORTH AMERICA SARL | 2006-06-15 | — | — | US | disclosed |
| US-20060100455-A1 | Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization | INVISTA NORTH AMERICA SARL | 2006-05-11 | — | — | US | disclosed |
| US-20060052624-A1 | Making nitrile compounds from ethylenically unsaturated compounds | INVISTA NORTH AMERICA SARL | 2006-03-09 | — | — | US | disclosed |
| EP-1521736-A1 | MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS | Rhodia Polyamide Intermediates (FR) | 2005-04-13 | — | — | EP | disclosed |
| EP-1521738-A2 | METHOD FOR MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2005-04-13 | — | — | EP | disclosed |
| WO-2004007508-A2 | NITRILE PRODUCTION FROM ETHYLENICALLY UNSATURATED COMPOUNDS | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004007435-A2 | METHOD FOR MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004007432-A1 | MAKING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2004-01-22 | — | — | WO | disclosed |
| WO-2003068729-A1 | METHOD OF PRODUCING NITRILE COMPOUNDS FROM COMPOUNDS WITH ETHYLENIC UNSATURATION | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2003-08-21 | — | — | WO | disclosed |
| WO-2003031392-A1 | METHOD FOR TRANSFORMING ETHYLENICALLY UNSATURATED COMPOUNDS INTO NITRILES AND BRANCHED NITRILES INTO LINEAR NITRILES | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2003-04-17 | — | — | WO | disclosed |