⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12590720 | 0.88 | — | — | |
| SCHEMBL681648 | 0.88 | — | — | |
| SCHEMBL680719 | 0.88 | — | — | |
| SCHEMBL11823906 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL31688079 | 0.82 | — | — | |
| SCHEMBL29029262 | 0.82 | — | — | |
| SCHEMBL528956 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL2949734 | 0.79 | CA2 (0.35) | — | |
| SCHEMBL751928 | 0.79 | — | — | |
| SCHEMBL614606 | 0.79 | — | — |
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 1105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025223971-A1 | AMPHIPHILIC POLYACETAL BLOCK COPOLYMERS, THEIR PRODUCTION, AND THEIR USE IN AGROCHEMICAL PRODUCTS AND AGROCHEMICAL FORMULATIONS | BASF SE (DE) | 2025-10-30 | — | — | WO | claimed |
| CN-222956367-U | Continuous flow reaction system for synthesizing 3-hexyne-2, 5-diol | 四川化工职业技术学院 | 2025-06-10 | — | — | CN | claimed |
| WO-2025016796-A1 | 3-(4-HYDROXYBUT-2-YNOXY)PROPANOIC ACID ESTER, AMIDE AND NITRILE DERIVATIVES AS CORROSION PROTECTION AGENTS | BASF SE (DE) | 2025-01-23 | — | — | WO | claimed |
| CN-116060001-B | Method and catalyst for synthesizing 3-hexyne-2, 5-diol under acetylene atmosphere at low pressure | 四川众邦新材料股份有限公司 | 2024-09-24 | — | — | CN | claimed |
| CN-118663188-A | Continuous flow reaction system and method for synthesizing 3-hexyne-2, 5-diol | 四川化工职业技术学院 | 2024-09-20 | — | — | CN | claimed |
| EP-4416268-A1 | METHODS FOR PRODUCING CARTILAGE AND BONES | Murdoch Children's Research Institute (AU) | 2024-08-21 | — | — | EP | claimed |
| CN-118451435-A | Environmental attributes of chemical products selected from alcohols, ethers, alkylene oxides, alkanes, aliphatic chlorides, organophosphines, organophosphates, and sulfonic acids | 巴斯夫欧洲公司 | 2024-08-06 | — | — | CN | claimed |
| CN-115491159-B | Moisture-heat-resistant polyurethane heat-conducting structural adhesive and preparation method thereof | 广东思泉新材料股份有限公司 | 2024-08-02 | — | — | CN | claimed |
| EP-3472671-B1 | A RINSE COMPOSITION, A METHOD FOR FORMING RESIST PATTERNS AND A METHOD FOR MAKING SEMICONDUCTOR DEVICES | MERCK PATENT GMBH (DE) | 2024-06-26 | — | — | EP | claimed |
| CN-115770578-B | Alkyne aldehyde reaction catalyst and preparation method and application thereof | 湖北吉和昌化工科技有限公司 | 2024-06-21 | — | — | CN | claimed |
| US-6177498-B1 | TWO SOLVENTS WORK IN CONJUNCTION WITH EACH OTHER: 3-HEXYNE-2,5-DIOL AND 1,2-OCTANEDIOL. THESE TWO SOLVENTS IN COMBINATION IMPROVE PRINTABILITY IN LATEX POLYMER-CONTAINING INK-JET INKS. | HEWLETT-PACKARD COMPANY | 2001-01-23 | — | — | US | claimed |
| EP-1029904-A1 | Solvents that enhance the printability and drop ejection of inks containing latex polymers | Hewlett-Packard Company (US) | 2000-08-23 | — | — | EP | claimed |
| EP-0668850-B1 | OXYGENATED ALIPHATIC COMPOUNDS AND THEIR USE AS INTERMEDIATES IN THE PREPARATION OF 4-HYDROXY-2,5-DIMETHYL-3(2H)-FURANONE | FIRMENICH & CIE (CH) | 1998-12-09 | — | — | EP | claimed |
| US-5780461-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1998-07-14 | — | — | US | claimed |
| US-5719175-A | ALZHEIMER'S DISEASE | ELI LILLY AND COMPANY (US) | 1998-02-17 | — | — | US | claimed |
| US-5709737-A | AQUEOUS LIQUID VEHICLE, COLORANT, ALCOHOL ADDITIVE; SUITABLE FOR MICROWAVE DRYING PROCESSES | XEROX CORPORATION (US) | 1998-01-20 | — | — | US | claimed |
| US-5580996-A | Oxygen-containing aliphatic compounds and their use as intermediates for the preparation of 4-hydroxy-2, 5-dimethyl-3(2H)-furanone | FIRMENICH SA (CH) | 1996-12-03 | — | — | US | claimed |
| EP-0526497-B1 | ACID NICKEL BATHS CONTAINING 1-(2-SULFOETHYL)-PYRIDINIUM BETAINE | ATOTECH DEUTSCHLAND GMBH (DE) | 1995-02-08 | — | — | EP | claimed |
| US-5264112-A | Acidic nickel baths containing 1-(2-sulfoethyl)-pyridiniumbetaine | ATOTECH DEUTSCHLAND GMBH (DE) | 1993-11-23 | — | — | US | claimed |
| US-4437931-A | USING 2-BUTYNE-1,4-DIOL AND SUBSTITUTED DIOL PROMOTERS; ETCHING PRINTED CIRCUIT BOARDS | DART INDUSTRIES INC. (US) | 1984-03-20 | — | — | US | claimed |