⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28015040 | 0.98 | TSHR (0.37) | — | |
| Acetaldehyde SCHEMBL7177953 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL7175617 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL8965442 | 0.83 | TSHR (0.36) | — | |
| SCHEMBL7183665 | 0.81 | EPHX2 (0.41) | — | |
| SCHEMBL8836087 | 0.80 | — | — | |
| SCHEMBL28394177 | 0.80 | — | — | |
| SCHEMBL27747540 | 0.80 | — | — | |
| SCHEMBL1960314 | 0.80 | — | — | |
| SCHEMBL4056942 | 0.80 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116375765-B | Preparation method of 3- (methoxy (methyl) phosphoryl) -1-cyano propyl acetate | 江苏七洲绿色科技研究院有限公司 | 2023-09-19 | — | — | CN | claimed |
| CN-116375765-A | Preparation method of 3- (methoxy (methyl) phosphoryl) -1-cyano propyl acetate | 江苏七洲绿色科技研究院有限公司 | 2023-07-04 | — | — | CN | claimed |
| CN-111479816-B | Process for preparing phosphorus-containing alpha-aminonitriles | 巴斯夫欧洲公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116375765-B | Preparation method of 3- (methoxy (methyl) phosphoryl) -1-cyano propyl acetate | 江苏七洲绿色科技研究院有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-116375765-A | Preparation method of 3- (methoxy (methyl) phosphoryl) -1-cyano propyl acetate | 江苏七洲绿色科技研究院有限公司 | 2023-07-04 | — | — | CN | disclosed |
| US-20180108947-A9 | ELECTROLYTE AND LITHIUM-ION BATTERY CONTAINING THE SAME | NINGDE AMPEREX TECHNOLOGY LTD. (CN) | 2018-04-19 | — | — | US | disclosed |
| US-20170084956-A1 | ELECTROLYTE AND LITHIUM-ION BATTERY CONTAINING THE SAME | Amperex Technology Limited (CN) | 2017-03-23 | — | — | US | disclosed |
| US-9128238-B2 | Optical material and molded product thereof | MITSUI CHEMICALS, INC. (JP) | 2015-09-08 | — | — | US | disclosed |
| CN-104649300-A | Method for recovering and refining sodium bromide from dipropyl cyanoacetate mixture | HUNAN PROVINCE XIANGZHONG PHARMACEUTICAL CO LTD | 2015-05-27 | — | — | CN | disclosed |
| US-20130030136-A1 | OPTICAL MATERIAL AND MOLDED PRODUCT THEREOF | MITSUI CHEMICALS, INC. (JP) | 2013-01-31 | — | — | US | disclosed |
| EP-2158178-A1 | METHOD OF MAKING DIALKYL KETONES | H R D Corporation (US) | 2010-03-03 | — | — | EP | disclosed |
| US-7659431-B2 | Method of making dialkyl ketones | H R D CORPORATION (US) | 2010-02-09 | — | — | US | disclosed |
| US-20090005602-A1 | Incorporating the novel use of a high shear device to promote dispersion and solubility of carbon monoxide and hydrogen with the olefins (e.g. ethylene) in a liquid solvent; carbonylation catalyst; lower reaction temperatures and pressures; reduced reaction time; efficiency; industrial scale | H R D CORPORATION (US) | 2009-01-01 | — | — | US | disclosed |
| WO-2009003045-A1 | METHOD OF MAKING DIALKYL KETONES | H R D CORPORATION (US) | 2008-12-31 | — | — | WO | disclosed |
| EP-0926134-B1 | Processes for producing alpha-cyanohydrin esters and alpha-hydroxy acids | DAICEL CHEM (JP) | 2003-09-17 | — | — | EP | disclosed |
| US-6111128-A | IN THE PRESENCE OF A METAL CATALYST, REACTING AN ENOL ESTER OF GIVEN FORMULA OR OXIME ESTER WITH A CARBONYL COMPOUND AND CYANOGENATION AGENT TO FORM AN ALPHA-CYANOHYDRIN ESTER WHICH IS HYDROLYZED TO FORM ALPHA-HYDROXY ACIDS; EFFICIENCY | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0926134-A2 | Processes for producing alpha-cyanohydrin esters and alpha-hydroxy acids | Daicel Chemical Industries, Ltd. (JP) | 1999-06-30 | — | — | EP | disclosed |