⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15942730 | 0.80 | — | — | |
| SCHEMBL12728877 | 0.79 | — | — | |
| SCHEMBL19543113 | 0.78 | — | — | |
| SCHEMBL4766709 | 0.77 | — | — | |
| SCHEMBL14085802 | 0.77 | — | — | |
| SCHEMBL15299018 | 0.77 | — | — | |
| SCHEMBL14642913 | 0.77 | — | — | |
| SCHEMBL10177388 | 0.75 | — | — | |
| SCHEMBL14668867 | 0.75 | THRB (0.36) | — | |
| SCHEMBL19493485 | 0.73 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2093208-B1 | Process for the preparation of 3,3-dimethylbutanal | NUTRASWEET CO (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-2093208-A2 | Process for the preparation of 3,3-dimethylbutanal | THE NUTRASWEET COMPANY (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1586548-B1 | Process for the preparation of 3,3-dimethylbutanal | NUTRASWEET CO (US) | 2009-06-10 | — | — | EP | disclosed |
| US-7348459-B2 | Reacting isobutylene, ethylene and mineral acid; hydrolyzing the ester to produce 3,3-dimethylbutanol, and converting 3,3-dimethylbutanol to 3,3-dimethylbutanal; by-product inhibition | THE NUTRASWEET COMPANY (US) | 2008-03-25 | — | — | US | disclosed |
| US-20070106086-A1 | Reacting isobutylene, ethylene and mineral acid; hydrolyzing the ester to produce 3,3-dimethylbutanol, and converting 3,3-dimethylbutanol to 3,3-dimethylbutanal; by-product inhibition | THE NUTRASWEET COMPANY (US) | 2007-05-10 | — | — | US | disclosed |
| US-7164049-B2 | Reacting isobutylene, ethylene and mineral acid; hydrolyzing the ester to produce 3,3-dimethylbutanol; and converting 3,3-dimethylbutanol to 3,3-dimethylbutanal | THE NUTRASWEET COMPANY (US) | 2007-01-16 | — | — | US | disclosed |
| EP-1192119-B1 | PROCESS FOR THE PREPARATION OF 3,3-DIMETHYLBUTANAL | NUTRASWEET CO (US) | 2006-03-22 | — | — | EP | disclosed |
| EP-1586548-A1 | Process for the preparation of 3,3-dimethylbutanal | THE NUTRASWEET COMPANY (US) | 2005-10-19 | — | — | EP | disclosed |
| US-6803487-B2 | REACTING ISOBUTYLENE, ETHYLENE AND MINERAL ACID;HYDROLYSIS OF CORRESPONDING ESTER TO ALCOHOL; CATALYTIC DEHYDROGENATION | THE NUTRASWEET COMPANY | 2004-10-12 | — | — | US | disclosed |
| US-20040006247-A1 | Reacting isobutylene, ethylene and mineral acid; hydrolyzing the ester to produce 3,3-dimethylbutanol; and converting 3,3-dimethylbutanol to 3,3-dimethylbutanal | THE NUTRASWEET COMPANY | 2004-01-08 | — | — | US | disclosed |
| US-20030229254-A1 | Reacting isobutylene, ethylene and mineral acid;hydrolysis of corresponding ester to alcohol; catalytic dehydrogenation | THE NUTRASWEET COMPANY | 2003-12-11 | — | — | US | disclosed |
| US-6573409-B1 | Prepared from 3,3-dimethylbutanol. Intermediate 3,3-dimethylbutanol is obtained by reacting ethylene, isopropylene and sulfuric acid to produce a 3,3- dimethylbutyl ester which is hydrolyzed to the alcohol. | THE NUTRASWEET COMPANY | 2003-06-03 | — | — | US | disclosed |
| WO-2001002332-A9 | PROCESS FOR THE PREPARATION OF 3,3-DIMETHYLBUTANAL | NUTRASWEET CO (US) | 2002-08-01 | — | — | WO | disclosed |
| EP-0284005-B1 | METHOD OF PRODUCTION OF POLYOLEFINS | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |
| US-4981930-A | POLYMERIZATION CATALYSTS | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1991-01-01 | — | — | US | disclosed |
| EP-0284005-A2 | Method of production of polyolefins | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1988-09-28 | — | — | EP | disclosed |