⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10741207 | 0.74 | — | — | |
| SCHEMBL504033 | 0.71 | — | — | |
| SCHEMBL19523377 | 0.71 | TDP1 (0.36) | — | |
| SCHEMBL15649742 | 0.71 | — | — | |
| SCHEMBL11285073 | 0.70 | — | — | |
| SCHEMBL6277553 | 0.68 | — | — | |
| SCHEMBL2103164 | 0.68 | — | — | |
| SCHEMBL8651577 | 0.67 | — | — | |
| SCHEMBL2050270 | 0.63 | — | — | |
| SCHEMBL24638635 | 0.63 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3131888-B1 | PRODUCTION OF STARTING MATERIALS CONTAINING 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANES FROM 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANE | BASF SE (DE) | 2022-08-03 | — | — | EP | disclosed |
| EP-3131888-B1 | PRODUCTION OF STARTING MATERIALS CONTAINING 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANES FROM 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANE | BASF SE (DE) | 2022-08-03 | — | — | EP | disclosed |
| CN-106170483-B | 4- hydroxy-4-methyl-oxinane is replaced by the raw material preparation 2- comprising 2- alkyl -4,4- dimethyl -1,3- dioxanes | 巴斯夫欧洲公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-106164062-B | 4- methyl-tetrahydro pyrans is replaced by the raw material preparation 2- comprising 2- alkyl -4,4- dimethyl -1,3- dioxanes | 巴斯夫欧洲公司 | 2019-04-19 | — | — | CN | disclosed |
| US-10233169-B2 | Production of 2-substituted 4-hydroxy-4-methyl-tetrahydropyrans from starting materials containing 2-alkyl-4,4-dimethyl-1,3-dioxanes | BASF SE (DE) | 2019-03-19 | — | — | US | disclosed |
| US-10233169-B2 | Production of 2-substituted 4-hydroxy-4-methyl-tetrahydropyrans from starting materials containing 2-alkyl-4,4-dimethyl-1,3-dioxanes | BASF SE (DE) | 2019-03-19 | — | — | US | disclosed |
| US-10233169-B2 | Production of 2-substituted 4-hydroxy-4-methyl-tetrahydropyrans from starting materials containing 2-alkyl-4,4-dimethyl-1,3-dioxanes | BASF SE (DE) | 2019-03-19 | — | — | US | disclosed |
| EP-3131885-B1 | PREPARATION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANES FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANE | BASF SE (DE) | 2019-01-09 | — | — | EP | disclosed |
| EP-3131885-B1 | PREPARATION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANES FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANE | BASF SE (DE) | 2019-01-09 | — | — | EP | disclosed |
| US-9994540-B2 | Production of 2-substituted 4-methyl-tetrahydropyrans from starting materials containing 2-alkyl-4,4-dimethyl-1,3-dioxanes | BASF SE (DE) | 2018-06-12 | — | — | US | disclosed |
| US-20170037022-A1 | PRODUCTION OF 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANES | BASF SE (DE) | 2017-02-09 | — | — | US | disclosed |
| CN-106170483-A | 2 replacement 4 hydroxyl 4 methyl Pentamethylene oxide .s are prepared by the raw material comprising 2 alkyl 4,4 dimethyl 1,3 dioxanes | 巴斯夫欧洲公司 | 2016-11-30 | — | — | CN | disclosed |
| CN-106164062-A | The raw material comprising 2 alkyl 4,4 dimethyl 1,3 dioxanes is prepared 2 replacement 4 methyl oxinanes | 巴斯夫欧洲公司 | 2016-11-23 | — | — | CN | disclosed |
| WO-2015158584-A1 | PRODUCTION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANS FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANES | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015158584-A1 | PRODUCTION OF 2-SUBSTITUTED 4-METHYL-TETRAHYDROPYRANS FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANES | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015158585-A1 | PRODUCTION OF 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANES | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015158585-A1 | PRODUCTION OF 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANES | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| WO-2015158585-A1 | PRODUCTION OF 2-SUBSTITUTED 4-HYDROXY-4-METHYL-TETRAHYDROPYRANS FROM STARTING MATERIALS CONTAINING 2-ALKYL-4,4-DIMETHYL-1,3-DIOXANES | BASF SE (DE) | 2015-10-22 | — | — | WO | disclosed |
| EP-2865676-A1 | Preparation of 2-substituted 4-methyl-tetrahydropyranes from starting materials containing 2-alkyl-4,4-dimethyl-1,3-dioxane | BASF SE (DE) | 2015-04-29 | — | — | EP | disclosed |
| EP-2865676-A1 | Preparation of 2-substituted 4-methyl-tetrahydropyranes from starting materials containing 2-alkyl-4,4-dimethyl-1,3-dioxane | BASF SE (DE) | 2015-04-29 | — | — | EP | disclosed |