⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL27852186 | 0.97 | MGAM (0.48) | — | |
| Propane SCHEMBL27515249 | 0.95 | MGAM (0.46) | — | |
| SCHEMBL7729694 | 0.87 | GAA (0.56) | — | |
| Chloroacetic Acid SCHEMBL1366203 | 0.84 | TSHR (0.50) | — | |
| SCHEMBL27976 | 0.82 | MGAM (0.61) | — | |
| SCHEMBL10538334 | 0.81 | — | — | |
| SCHEMBL7833839 | 0.80 | MGAM (0.39) | — | |
| SCHEMBL15688315 | 0.79 | MGAM (0.58) | — | |
| SCHEMBL140582 | 0.79 | — | — | |
| SCHEMBL11826383 | 0.79 | TSHR (0.50) | — |
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 1208 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119565198-A | Rectifying equipment for producing methyl 4-chloroacetoacetate | 江苏恒安化工有限公司 | 2025-03-07 | — | — | CN | claimed |
| CN-115947692-B | Method for preparing 2-chloro-4- (methoxymethyl) pyrimidine | 上海再启生物技术有限公司 | 2024-12-27 | — | — | CN | claimed |
| 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 | claimed |
| CN-220405218-U | Methyl chloroacetoacetate preparation tail gas absorption tower with even spray structure | 盐城华钛化学有限公司 | 2024-01-30 | — | — | CN | claimed |
| CN-113652407-B | Carbonyl reductase mutant and application thereof in asymmetric synthesis of chiral compound | 浙江工业大学 | 2024-01-16 | — | — | CN | claimed |
| CN-114213249-B | Synthesis method of dolutegravir intermediate | 瑞孚信江苏药业股份有限公司 | 2023-09-01 | — | — | CN | claimed |
| CN-114349635-B | Synthesis method of dolutegravir core intermediate | 瑞孚信江苏药业股份有限公司 | 2023-09-01 | — | — | CN | claimed |
| CN-116496296-A | Dolutegravir derivative with anti-tumor function and preparation method thereof | 河南师范大学 | 2023-07-28 | — | — | CN | claimed |
| CN-116425630-A | Process for producing methyl 4-chloroacetoacetate | 宁夏思科达生物科技有限公司 | 2023-07-14 | — | — | CN | claimed |
| CN-116356085-A | Aliphatic synthetic tanning agent containing hexabasic carbonyl and preparation method and application thereof | 南京工业大学 | 2023-06-30 | — | — | CN | claimed |
| CN-101898993-A | Preparation method of 4-hydroxyl ketopyrrolidine-2-acetamide | YUAN DI | 2010-12-01 | — | — | CN | claimed |
| CN-101121688-A | Improved method for synthesizing oxiracetam | UNIV NANKAI (CN) | 2008-02-13 | — | — | CN | claimed |
| US-20040248250-A1 | Method for modifying enzyme and oxidoreductive variant | KANEKA CORPORATION (JP) | 2004-12-09 | — | — | US | claimed |
| EP-0967271-B1 | NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE | KANEKA CORP (JP) | 2004-10-20 | — | — | EP | claimed |
| EP-1416050-A1 | METHOD OF MODIFYING ENZYME AND OXIDOREDUCTASE VARIANT | KANEKA CORPORATION (JP) | 2004-05-06 | — | — | EP | claimed |
| US-6448052-B2 | TO CONVERT ETHYL 4-CHLOROACETOACETATE USING NADPH AS A COENZYME TO PRODUCE ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; SUBSTRATE SPECIFICITY, NO ACTIVITY TO ETHYL ACETOACETATE, SPECIFIED OPTIMAL PH AND TEMPERATURE; ENZYME FROM CANDIDA | KANEKA CORPORATION (JP) | 2002-09-10 | — | — | US | claimed |
| EP-0912467-B1 | ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE | RHODIA CHIMIE SA (FR) | 2002-04-24 | — | — | EP | claimed |
| US-20020006651-A1 | Carbonyl reductase enzyme and methods for its use | KANEKA CORPORATION | 2002-01-17 | — | — | US | claimed |
| US-6218157-B1 | EFFICIENT METHOD BY REACTING A 4-HALOACETOACETIC ACID ESTER WITH PURIFIED ENZYME TO FORM (S)-4-HALO-3-HYDROXYBUTYRIC ACID ESTER | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-17 | — | — | US | claimed |
| EP-0967271-A1 | NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE | KANEKA CORPORATION (JP) | 1999-12-29 | — | — | EP | claimed |