⚠ 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 | |
|---|---|---|---|---|
| Propynoic Acid Ethyl Ester SCHEMBL6636396 | 0.97 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL30405100 | 0.97 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL27430542 | 0.97 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL8472125 | 0.97 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28774918 | 0.97 | — | — | |
| Propynoic Acid Ethyl Ester SCHEMBL6642135 | 0.95 | ALDH1A1 (0.43) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL7967456 | 0.93 | ALDH1A1 (0.42) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28262379 | 0.93 | ALDH1A1 (0.42) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL28671067 | 0.91 | FFAR3 (0.46) | — | |
| Propynoic Acid Ethyl Ester SCHEMBL7967449 | 0.91 | ALDH1A1 (0.40) | — |
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
Appears in 5800 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116903866-B | Polyvinyl alcohol modified multifunctional powder slump retaining agent and preparation method thereof | JIANGSU ARIT NEW MATERIALS CO.,LTD. (CN) | 2026-05-26 | — | — | CN | claimed |
| CN-122079858-A | Preparation method of 5-bromoindole-2-carboxylic acid ethyl ester or 5-bromoindole-2-carboxylic acid | — | 2026-05-26 | — | — | CN | claimed |
| US-20250382419-A1 | DISULFIDATED POLYMERS AND METHODS OF PREPARATION | UNIV COLORADO REGENTS (US) | 2025-12-18 | — | — | US | claimed |
| CN-120058756-A | Synthesis process of (E) -3- (4, 5-tetramethyl-1, 3, 2-dioxaborane-2-yl) ethyl acrylate | 上海泰坦科技股份有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-119661760-A | Modified ethylene propylene rubber and preparation method thereof | 青岛科技大学 | 2025-03-21 | — | — | CN | claimed |
| CN-119504397-A | Synthesis method of 2-fluorocyclopropane carboxylic acid | 上海裕兰生物科技有限公司 | 2025-02-25 | — | — | CN | claimed |
| CN-118894814-A | Preparation method of 1- (2-bromo-4-chlorophenyl) -4- (trifluoromethyl) -1H-1,2, 3-triazole | 上海康鹏科技股份有限公司 | 2024-11-05 | — | — | CN | claimed |
| CN-118878551-A | Preparation method of 4-bromothieno [2,3-c ] pyridine-2-carboxylic acid ethyl ester | 安徽大学 | 2024-11-01 | — | — | CN | claimed |
| CN-118791659-A | Preparation method of tetra-A-B-hexa-A-B copolymer for wire coating | 内蒙古氟源科技有限公司 | 2024-10-18 | — | — | CN | claimed |
| CN-118479967-A | Preparation method of gamma-fluoroolefin derivative | 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) | 2024-08-13 | — | — | CN | claimed |
| EP-0081125-B1 | CATIONIC DYES, THEIR PREPARATION PROCESS AND THEIR USE IN DYEING AND MASS DYEING | BAYER AG (DE) | 1985-05-08 | — | — | EP | claimed |
| EP-0132851-A1 | 5-Substituted(1,2,4)triazolo(1,5-c)pyrimidin-2-amines | AMERICAN CYANAMID COMPANY (US) | 1985-02-13 | — | — | EP | claimed |
| EP-0013617-B1 | PENICILLIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING CERTAIN OF THESE COMPOUNDS | BEECHAM GROUP PLC (GB) | 1984-07-04 | — | — | EP | claimed |
| EP-0099303-A2 | Benzothiopyranopyridinones and their salts, their preparation and use as medicaments, and compositions containing them | ROUSSEL-UCLAF (FR) | 1984-01-25 | — | — | EP | claimed |
| US-4412077-A | Process for preparing 5-(lower-alkanoyl)-6-(lower-alkyl)-2(1H)-pyridinone | STERLING DRUG INC. (US) | 1983-10-25 | — | — | US | claimed |
| EP-0050263-B1 | CATIONIC DYES, THEIR PREPARATION AND THEIR USE IN THE DYEING OF CATIONICALLY DYEABLE FIBRES AND PAPER | BAYER AG (DE) | 1983-08-03 | — | — | EP | claimed |
| EP-0022141-B1 | COMPOSITIONS AND METHODS FOR REDUCING HERBICIDAL INJURY | MONSANTO COMPANY (US) | 1983-06-08 | — | — | EP | claimed |
| WO-1982003860-A1 | DERIVATIVES OF 1,4-THIAZANE-CARBOXYLIC ACID,PREPARATION AND UTILIZATION THEREOF AND COMPOSITIONS CONTAINING SAME | GILLET CLAUDE | 1982-11-11 | — | — | WO | claimed |
| US-4289897-A | REACTION OF PROPIOLIC ACID ESTER WITH A HYDRAZINE DERIVATIVE IN A SOLVENT | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-09-15 | — | — | US | claimed |
| US-4098997-A | REACTION WITH PROPIOLIC ACID ESTERS | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1978-07-04 | — | — | US | claimed |