⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155325 | 1.00 | — | — | |
| SCHEMBL155326 | 1.00 | — | — | |
| Cyanide SCHEMBL3983478 | 0.94 | — | — | |
| Acetonitrile SCHEMBL27598600 | 0.94 | — | — | |
| SCHEMBL28060049 | 0.83 | — | — | |
| SCHEMBL27698347 | 0.81 | TSHR (0.65) | — | |
| SCHEMBL27791384 | 0.81 | TSHR (0.65) | — | |
| SCHEMBL9209509 | 0.79 | — | — | |
| SCHEMBL9209505 | 0.79 | — | — | |
| SCHEMBL15992848 | 0.79 | TSHR (0.62) | — |
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 201 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106975519-B | Method for preparing a catalyst system for hydrocyanation and isomerization | 英威达纺织（英国）有限公司 | 2021-09-07 | — | — | CN | claimed |
| EP-2556050-B2 | METHOD FOR ISOMERIZING CIS-2-PENTENE NITRILE TO FORM 3-PENTENE NITRILES | BASF SE (DE) | 2017-09-06 | — | — | EP | claimed |
| US-9493405-B2 | Method for producing linear pentenenitrile | BASF SE (DE) | 2016-11-15 | — | — | US | claimed |
| US-8772527-B2 | Process for isomerization of cis-2-pentenenitrile to 3-pentenenitriles | BASF SE (DE) | 2014-07-08 | — | — | US | claimed |
| EP-2556050-B1 | METHOD FOR ISOMERIZING CIS-2-PENTENE NITRILE TO FORM 3-PENTENE NITRILES | BASF SE (DE) | 2014-05-14 | — | — | EP | claimed |
| US-8530690-B2 | Process for isomerizing CIS-2-pentenenitrile to 3-pentenenitriles | BASF SE (DE) | 2013-09-10 | — | — | US | claimed |
| US-20110288326-A1 | PROCESS FOR ISOMERIZING CIS-2-PENTENENITRILE TO 3-PENTENENITRILES | BASF SE (DE) | 2011-11-24 | — | — | US | claimed |
| US-7700795-B2 | Use of azeotropically dried nickel(ii) halogenides | BASF AKTIENGESELLSCHAFT (DE) | 2010-04-20 | — | — | US | claimed |
| US-7407643-B2 | Process for removing water from a mixture containing water and zinc chloride | BASF SE (DE) | 2008-08-05 | — | — | US | claimed |
| US-20070073071-A1 | Use of azeotropically dried nickel(ii) halogenides | BASF AKTIENGESELLSCHAFT (DE) | 2007-03-29 | — | — | US | claimed |
| US-7084294-B2 | Method for the recycling of a Lewis acid | BASF AKTIENGESELLSCHAFT (DE) | 2006-08-01 | — | — | US | claimed |
| EP-1521722-B1 | METHOD FOR REMOVING WATER FROM A MIXTURE CONTAINING WATER AND ZINC CHLORIDE | BASF AG (DE) | 2006-04-05 | — | — | EP | claimed |
| EP-1324978-B1 | METHOD FOR SEPARATING PENTENENITRILE ISOMERS | BASF AG (DE) | 2006-03-22 | — | — | EP | claimed |
| US-20050247624-A1 | Method for the recycling of a lewis acid | BASF AKTIENGESELLSCHAFT (DE) | 2005-11-10 | — | — | US | claimed |
| US-20050207968-A1 | Process for removing water from a mixture containing water and zinc chloride | BASF AKTIENGESELLSCHAFT (DE) | 2005-09-22 | — | — | US | claimed |
| CN-1668533-A | Process for removing water from a mixture containing water and zinc chloride | BASF AG (DE) | 2005-09-14 | — | — | CN | claimed |
| EP-1521722-A1 | METHOD FOR REMOVING WATER FROM A MIXTURE CONTAINING WATER AND ZINC CHLORIDE | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-13 | — | — | EP | claimed |
| WO-2004007371-A1 | METHOD FOR REMOVING WATER FROM A MIXTURE CONTAINING WATER AND ZINC CHLORIDE | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-22 | — | — | WO | claimed |
| CN-106975519-B | Method for preparing a catalyst system for hydrocyanation and isomerization | 英威达纺织（英国）有限公司 | 2021-09-07 | — | — | CN | disclosed |
| US-6242633-B1 | Catalyst comprising at least one phosphonite ligand based nickel (O) complex and method for the production of nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-05 | — | — | US | disclosed |