⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11105202 | 0.97 | TSHR (0.40) | — | |
| SCHEMBL5767172 | 0.79 | — | — | |
| SCHEMBL3870846 | 0.74 | — | — | |
| SCHEMBL901650 | 0.74 | — | — | |
| SCHEMBL10430794 | 0.74 | — | — | |
| SCHEMBL28856657 | 0.74 | — | — | |
| SCHEMBL584638 | 0.73 | — | — | |
| SCHEMBL9622059 | 0.73 | TSHR (0.44) | — | |
| SCHEMBL97101 | 0.71 | — | — | |
| SCHEMBL9423742 | 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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113578246-B | Continuous chlorination pipeline reaction device and method for preparing ethyl 4-chloroacetoacetate | 宁夏优维生物科技有限公司 | 2025-01-24 | — | — | CN | disclosed |
| CN-118955289-A | Purification method of 4-chloroacetoacetic acid ethyl ester and substances of the same type | 广西金源生物化工实业有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-118515614-A | Synthesis method of difluoro pyrazole acid | 南京大学 | 2024-08-20 | — | — | CN | disclosed |
| CN-117736145-A | Microwave-promoted synthesis method of 3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid | 浙江工业大学 | 2024-03-22 | — | — | CN | disclosed |
| CN-117567279-A | Method for continuously preparing 4-chloroacetoacetic acid ethyl ester in microchannel reactor | 康宁股份有限公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-116396165-A | Production process of 4-chloroacetoacetic acid ethyl ester | 宁夏思科达生物科技有限公司 | 2023-07-07 | — | — | CN | disclosed |
| CN-116120715-A | Cycloolefin resin composition containing functional elastomer | 马特里亚公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-107250202-B | ROMP polymers with improved resistance to hydrocarbon fluids | 马特里亚公司 | 2021-10-01 | — | — | CN | disclosed |
| US-8680286-B2 | Method for producing enaminocarbonyl compounds | BAYER CROPSCIENCE AG (DE) | 2014-03-25 | — | — | US | disclosed |
| US-20120004416-A1 | NOVEL METHOD FOR PRODUCING ENAMINOCARBONYL COMPOUNDS | BAYER CROPSCIENCE AG (DE) | 2012-01-05 | — | — | US | disclosed |
| EP-2163549-A1 | Process for the Preparation of Tetronic Acid | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-03-17 | — | — | EP | disclosed |
| US-6838535-B2 | Process for the living radical polymerization of chlorine containing monomers | UNIVERSITY OF PENNSYLVANIA (US) | 2005-01-04 | — | — | US | disclosed |
| US-20020173611-A1 | Process for the living radical polymerization of chlorine containing monomers | UNIVERSITY OF PENNSYLVANIA | 2002-11-21 | — | — | US | disclosed |
| WO-2002077043-A1 | PROCESS FOR THE LIVING RADICAL POLYMERIZATION OF CHLORINE CONTAINING MONOMERS | UNIVERSITY OF PENNSYLVANIA (US) | 2002-10-03 | — | — | WO | disclosed |
| US-4576942-A | ANTIHISTAMINES, ASTHIMA | USV PHARMACEUTICAL CORP. (US) | 1986-03-18 | — | — | US | disclosed |
| US-3950412-A | Method for the production of haloacetoacetic acids | LONZA LTD. (CH) | 1976-04-13 | — | — | US | disclosed |