⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10686935 | 1.00 | — | — | |
| SCHEMBL10689282 | 1.00 | — | — | |
| SCHEMBL19543346 | 0.97 | — | — | |
| SCHEMBL9963866 | 0.81 | — | — | |
| SCHEMBL6676961 | 0.79 | — | — | |
| SCHEMBL12548621 | 0.73 | — | — | |
| SCHEMBL21921320 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL8755384 | 0.68 | CA2 (0.36) | — | |
| SCHEMBL19557085 | 0.67 | — | — | |
| SCHEMBL13166994 | 0.66 | BACE1 (0.31) | — |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| US-20030229254-A1 | Reacting isobutylene, ethylene and mineral acid;hydrolysis of corresponding ester to alcohol; catalytic dehydrogenation | THE NUTRASWEET COMPANY | 2003-12-11 | — | — | US | claimed |
| EP-0004493-B1 | ETHERS WHOSE ORGANIC MOIETIES HAVE ASYMMETRIC ATOMS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE RESOLUTION OF ALCOHOLS, PHENOLS OR CERTAIN COMPOUNDS WITH A LACTONE STRUCTURE | ROUSSEL-UCLAF (FR) | 1981-05-06 | — | — | EP | claimed |
| EP-0002807-A1 | Process for the preparation of alpha-hydroxy-beta,beta-dimethyl-gamma-butyrolactone | BASF Aktiengesellschaft (DE) | 1979-07-11 | — | — | EP | claimed |
| US-20130267681-A1 | CHEMICAL LIGATION BY RING OPENING OF OXO-THIOMORPHOLINES | THE UNIVERSITY OF READING (GB) | 2013-10-10 | — | — | US | disclosed |
| US-20130267681-A1 | CHEMICAL LIGATION BY RING OPENING OF OXO-THIOMORPHOLINES | THE UNIVERSITY OF READING (GB) | 2013-10-10 | — | — | US | disclosed |
| EP-2093208-A2 | Process for the preparation of 3,3-dimethylbutanal | THE NUTRASWEET COMPANY (US) | 2009-08-26 | — | — | 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-0129435-A2 | Ester of flurbiprofen and emulsion containing the same | GREEN CROSS CORPORATION (JP) | 1984-12-27 | — | — | EP | disclosed |
| EP-0103265-A2 | Biphenylylpropionic acid derivative, process for preparing the same and pharmaceutical composition containing the same | Kaken Pharmaceutical Co., Ltd. (JP) | 1984-03-21 | — | — | EP | disclosed |
| US-4374257-A | Novel ethers containing a lactone group and a chiral atom | ROUSSEL UCLAF (FR) | 1983-02-15 | — | — | US | disclosed |
| EP-0004493-B1 | ETHERS WHOSE ORGANIC MOIETIES HAVE ASYMMETRIC ATOMS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE RESOLUTION OF ALCOHOLS, PHENOLS OR CERTAIN COMPOUNDS WITH A LACTONE STRUCTURE | ROUSSEL-UCLAF (FR) | 1981-05-06 | — | — | EP | disclosed |
| US-4265817-A | Novel chiral ethers and their use in resolution of alcohols and phenols | ROUSSEL UCLAF (FR) | 1981-05-05 | — | — | US | disclosed |
| EP-0004493-A1 | Ethers whose organic moieties have asymmetric atoms, methods for their preparation and their use for the resolution of alcohols, phenols or certain compounds with a lactone structure | ROUSSEL-UCLAF (FR) | 1979-10-03 | — | — | EP | disclosed |
| EP-0002807-A1 | Process for the preparation of alpha-hydroxy-beta,beta-dimethyl-gamma-butyrolactone | BASF Aktiengesellschaft (DE) | 1979-07-11 | — | — | EP | disclosed |