⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1204457 | 1.00 | — | — | |
| SCHEMBL11061201 | 0.77 | — | — | |
| SCHEMBL11061200 | 0.77 | — | — | |
| SCHEMBL8400267 | 0.76 | TRPA1 (0.41) | — | |
| SCHEMBL23648152 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL2163221 | 0.74 | — | — | |
| SCHEMBL7044565 | 0.74 | — | — | |
| SCHEMBL23648151 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL11027770 | 0.72 | — | — | |
| SCHEMBL8978004 | 0.71 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0543739-B1 | Process for the preparation of alkyl adipates | RHONE POULENC CHIMIE (FR) | 1996-01-31 | — | — | EP | claimed |
| US-8623621-B2 | Method for producing optically active 2-methyl-alkanols | BASF SE (DE) | 2014-01-07 | — | — | US | disclosed |
| US-20110045560-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE 2-METHYL-ALKANOLS | BASF AKTIENGESELLSCHAFT (DE) | 2011-02-24 | — | — | US | disclosed |
| US-7816107-B2 | Method for producing an optically active 2-methyl-alkane-1-ol from the corresponding 2-methylalk-2-en-1-al, comprising carbonyl-selective reduction, enantioselective hydration and lipase-catalyzed, stereoselective acylation in order to enrich the desired | BASF AKTIENGESELLSCHAFT (DE) | 2010-10-19 | — | — | US | disclosed |
| US-20080108117-A1 | Method for Producing an Optically Active 2-Methyl-Alkane-1-Ol from the Corresponding 2-Methylalk-2-En-1-Al, Comprising Carbonyl-Selective Reduction, Enantioselective Hydration and Lipase-Catalyzed Stereoselective Acylation in Order to Enrich the Desired | BASF AKTIENGESELLSCHAFT (DE) | 2008-05-08 | — | — | US | disclosed |
| EP-1797191-B1 | PROESS FOR PRODUCING AN OPTICALLY ACTIVE 2-METHYL-ALKANE-1-OLS FROM THE CORRESPONDING 2-METHYLALK-2-EN-1-ALS, COMPRISING A STEP OF ENANTIOSELECTIVE ACYLATION TO ENRICH ONE ENANTIOMER | BASF SE (DE) | 2008-04-02 | — | — | EP | disclosed |
| EP-1797191-A2 | METHOD FOR PRODUCING AN OPTICALLY ACTIVE 2-METHYL-ALKANE-1-OL FROM THE CORRESPONDING 2-METHYLALK-2-EN-1-AL, COMPRISING CARBONYL-SELECTIVE REDUCTION, ENANTIOSELECTIVE HYDRATION AND LIPASE-CATALYZED, STEREOSELECTIVE ACYLATION IN ORDER TO ENRICH THE DESIRED ENANTIOMER | BASF AKTIENGESELLSCHAFT (DE) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006034812-A2 | METHOD FOR PRODUCING AN OPTICALLY ACTIVE 2-METHYL-ALKANE-1-OL FROM THE CORRESPONDING 2-METHYLALK-2-EN-1-AL, COMPRISING CARBONYL-SELECTIVE REDUCTION, ENANTIOSELECTIVE HYDRATION AND LIPASE-CATALYZED, STEREOSELECTIVE ACYLATION IN ORDER TO ENRICH THE DESIRED ENANTIOMER | BASF AKTIENGESELLSCHAFT (DE) | 2006-04-06 | — | — | WO | disclosed |
| US-4107217-A | INTERMEDIATED 3-ALKENALS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-08-15 | — | — | US | disclosed |
| US-4088696-A | MULTISTAGE FROM AN ACETYLENIC KETONE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-05-09 | — | — | US | disclosed |
| US-4045497-A | Processes for producing alkenals and intermediates therefor | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4024190-A | ORGANO-LEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-05-17 | — | — | US | disclosed |
| US-3988487-A | Foodstuff flavoring compositions comprising alkylidene alkenals and processes for preparing same as well as flavoring compositions for use in such foodstuff | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-10-26 | — | — | US | disclosed |
| US-3970701-A | 2-ETHYLIDENE-3-HEXENAL, ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-07-20 | — | — | US | disclosed |