⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1246559 | 1.00 | ALDH1A1 (0.75) | — | |
| SCHEMBL8735868 | 1.00 | — | — | |
| SCHEMBL16308003 | 1.00 | — | — | |
| SCHEMBL3134391 | 0.87 | CYP2D6 (1.00) | — | |
| SCHEMBL190067 | 0.87 | CYP2D6 (1.00) | — | |
| SCHEMBL213024 | 0.87 | CYP2D6 (1.00) | — | |
| SCHEMBL28168136 | 0.87 | CYP2D6 (1.00) | — | |
| Ammonia Solution, Strong SCHEMBL25317376 | 0.83 | CYP2D6 (0.92) | — | |
| Hydrochloric Acid SCHEMBL10880042 | 0.83 | CYP2D6 (0.92) | — | |
| Ammonia Solution, Strong SCHEMBL25317379 | 0.83 | CYP2D6 (0.92) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9403748-B2 | Synthesis of short chain carboxylic acids from carbohydrate biomass | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2016-08-02 | — | — | US | claimed |
| US-20150321988-A1 | SYNTHESIS OF SHORT CHAIN CARBOXYLIC ACIDS FROM CARBOHYDRATE BIOMASS | CRESTLINE DIRECT FINANCE, L.P. | 2015-11-12 | — | — | US | claimed |
| WO-2014089827-A1 | SYNTHESIS OF SHORT CHAIN CARBOXYLIC ACIDS FROM CARBOHYDRATE BIOMASS | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2014-06-19 | — | — | WO | claimed |
| WO-2013130426-A1 | RECOMBINANT HOST CELLS AND PROCESSES FOR PRODUCING 1,3-BUTADIENE THROUGH A 5-HYDROXYPENT-3-ENOATE INTERMEDIATE | CODEXIS, INC. (US) | 2013-09-06 | — | — | WO | claimed |
| US-4167395-A | Water-soluble branched polyesters | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-09-11 | — | — | US | claimed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-9994881-B2 | Functionalized carboxylic acids and alcohols by reverse fatty acid oxidation in engineered microbes | WILLIAM MARSH RICE UNIVERSITY (US) | 2018-06-12 | — | — | US | disclosed |
| EP-2753689-B1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | UNIV RICE WILLIAM M (US) | 2018-02-14 | — | — | EP | disclosed |
| US-9403748-B2 | Synthesis of short chain carboxylic acids from carbohydrate biomass | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2016-08-02 | — | — | US | disclosed |
| US-20150321988-A1 | SYNTHESIS OF SHORT CHAIN CARBOXYLIC ACIDS FROM CARBOHYDRATE BIOMASS | CRESTLINE DIRECT FINANCE, L.P. | 2015-11-12 | — | — | US | disclosed |
| US-20150017698-A1 | RECOMBINANT HOST CELLS AND PROCESSES FOR PRODUCING 1,3-BUTADIENE THROUGH A 5-HYDROXYPENT-3-ENOATE INTERMEDIATE | Codexis, Inc. a corporation | 2015-01-15 | — | — | US | disclosed |
| US-20140273110-A1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | WILLIAM MARSH RICE UNIVERSITY (US) | 2014-09-18 | — | — | US | disclosed |
| WO-2014089827-A1 | SYNTHESIS OF SHORT CHAIN CARBOXYLIC ACIDS FROM CARBOHYDRATE BIOMASS | EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) | 2014-06-19 | — | — | WO | disclosed |
| WO-2013130426-A1 | RECOMBINANT HOST CELLS AND PROCESSES FOR PRODUCING 1,3-BUTADIENE THROUGH A 5-HYDROXYPENT-3-ENOATE INTERMEDIATE | CODEXIS, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| WO-2013130426-A1 | RECOMBINANT HOST CELLS AND PROCESSES FOR PRODUCING 1,3-BUTADIENE THROUGH A 5-HYDROXYPENT-3-ENOATE INTERMEDIATE | CODEXIS, INC. (US) | 2013-09-06 | — | — | WO | disclosed |
| US-20080039342-A1 | PROCESS FOR TRANSITION METAL-CATALYZED ELECTROCHEMICAL ALLYLIC ALKYLATION ON AN ELECTRODE ARRAY DEVICE | COMBIMATRIX CORPORATION (US) | 2008-02-14 | — | — | US | disclosed |
| EP-0826803-A2 | Biodegradable polyester fiber | Takasago International Corporation (JP) | 1998-03-04 | — | — | EP | disclosed |
| US-5354887-A | Reacting carbon monoxide and water with diacryloxylated butene in polar, aprotic solvent and catalyst | RHONE-POULENC CHIMIE (FR) | 1994-10-11 | — | — | US | disclosed |
| US-4167395-A | Water-soluble branched polyesters | CASSELLA AKTIENGESELLSCHAFT (DE) | 1979-09-11 | — | — | US | disclosed |