⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9191829 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL9191822 | 1.00 | TSHR (0.35) | — | |
| SCHEMBL5700627 | 1.00 | — | — | |
| SCHEMBL417219 | 0.82 | — | — | |
| SCHEMBL417218 | 0.82 | — | — | |
| SCHEMBL13947471 | 0.82 | — | — | |
| SCHEMBL3360214 | 0.82 | — | — | |
| Butadiene SCHEMBL11652705 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL5868451 | 0.78 | — | — | |
| SCHEMBL5868454 | 0.78 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024115594-A1 | ACETIC ACID FOR INTENSIFYING OR MODIFYING THE AROMA OF AROMA CHEMICALS | BASF SE (DE) | 2024-06-06 | — | — | WO | disclosed |
| WO-2024083934-A1 | METHOD FOR PREPARING 1,4-BUTANEDIOL DIESTERS | BASF SE (DE) | 2024-04-25 | — | — | WO | disclosed |
| WO-2023144219-A1 | COMPOSITIONS COMPRISING 4-ISOPROPYL-1-METHYL-7-OXABICYCLO[2.2.1]HEPTAN-2-OL OR ESTERS OR ETHERS THEREOF AND THEIR USE AS AROMA CHEMICALS | BASF SE (DE) | 2023-08-03 | — | — | WO | disclosed |
| EP-3999620-A1 | FRAGRANCE MIXTURE CONTAINING 1,3-PROPANEDIOL | Symrise AG (DE) | 2022-05-25 | — | — | EP | disclosed |
| EP-3997057-A1 | 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS | BASF SE (DE) | 2022-05-18 | — | — | EP | disclosed |
| EP-3823955-A1 | alfa, alfa-DISUBSTITUTED CARBOXYLIC ACID ESTERS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-05-26 | — | — | EP | disclosed |
| EP-3784762-A1 | ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL | BASF SE (DE) | 2021-03-03 | — | — | EP | disclosed |
| WO-2021008696-A1 | FRAGRANCE MIXTURE CONTAINING 1,3-PROPANEDIOL | SYMRISE AG (DE) | 2021-01-21 | — | — | WO | disclosed |
| WO-2021009315-A1 | FRAGRANCE MIXTURE CONTAINING 1,3-PROPANEDIOL | SYMRISE AG (DE) | 2021-01-21 | — | — | WO | disclosed |
| WO-2021005109-A1 | 2-(2,4,5-TRIMETHYLCYCLOHEX-2-EN-1-YL)ACETALDEHYDE AND DERIVATIVES AND THEIR USE AS AROMA CHEMICALS | BASF SE (DE) | 2021-01-14 | — | — | WO | disclosed |
| WO-2020016421-A1 | α, α-DISUBSTITUTED CARBOXYLIC ACID ESTERS FOR USE AS AROMA CHEMICALS | BASF SE (DE) | 2020-01-23 | — | — | WO | disclosed |
| WO-2019068856-A1 | AROMA CHEMICAL COMPOSITIONS CONTAINING 3,5-DIETHYL-2-PROPYL-TETRAHYDROPYRAN AND/OR UNSATURATED DERIVATIVES THEREOF | BASF SE (DE) | 2019-04-11 | — | — | WO | disclosed |
| CN-105753182-A | Styrene ketone-maleic anhydride-butadiene-butenol scale inhibitor and preparation method thereof | 佛山市聚成生化技术研发有限公司 | 2016-07-13 | — | — | CN | disclosed |
| EP-1677749-A1 | SHORT-CHAIN ENOL ESTERS AS ODIFEROUS SUBSTANCE PRECURSORS | Symrise GmbH & Co. KG (DE) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005037243-A1 | SHORT-CHAIN ENOL ESTERS AS ODIFEROUS SUBSTANCE PRECURSORS | SYMRISE GMBH & CO. KG (DE) | 2005-04-28 | — | — | WO | disclosed |
| EP-1171509-B1 | CONDENSATION POLYMER CONTAINING ESTERALKYLAMIDE-ACID GROUPS | DSM IP ASSETS BV (NL) | 2003-12-10 | — | — | EP | disclosed |
| US-6645636-B2 | Paint power coating | DSM N.V. (NL) | 2003-11-11 | — | — | US | disclosed |
| US-20020035236-A1 | Condensation polymer containing esteralkylamide-acid groups | DSM N.V. HET OVERLOON 1,6411 TE HEERLEN, THE NETHERLANDS | 2002-03-21 | — | — | US | disclosed |
| EP-1171509-A1 | CONDENSATION POLYMER CONTAINING ESTERALKYLAMIDE-ACID GROUPS | DSM N.V. (NL) | 2002-01-16 | — | — | EP | disclosed |
| WO-2000056804-A1 | CONDENSATION POLYMER CONTAINING ESTERALKYLAMIDE-ACID GROUPS | DSM N.V. (NL) | 2000-09-28 | — | — | WO | disclosed |