⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13533913 | 1.00 | — | — | |
| SCHEMBL7906063 | 0.84 | — | — | |
| SCHEMBL4260581 | 0.84 | — | — | |
| SCHEMBL19118462 | 0.84 | — | — | |
| SCHEMBL7908838 | 0.84 | — | — | |
| SCHEMBL20097735 | 0.84 | — | — | |
| SCHEMBL13537778 | 0.76 | — | — | |
| SCHEMBL7679321 | 0.72 | — | — | |
| SCHEMBL5954153 | 0.72 | — | — | |
| SCHEMBL11865371 | 0.70 | CHRM4 (0.32) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4212773-A | Perfumery compositions with trimethyl-tetrahydropyran-2-ones | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1980-07-15 | — | — | US | claimed |
| EP-0004978-A1 | Use of 4,6,6-trimethyltetrahydropyran-2-one and a mixture thereof with 4,4,6-trimethyltetrahydropyran-2-one in a weight ratio of 60:40 as fragrances and fragrant compositions containing them | Henkel Kommanditgesellschaft auf Aktien (DE) | 1979-10-31 | — | — | EP | claimed |
| US-20230181523-A1 | GLUCONIC ACID DERIVATIVES FOR USE IN THE TREATMENT AND/OR PREVENTION OF MICROBIAL INFECTIONS | GEDEA BIOTECH AB (SE) | 2023-06-15 | — | — | US | disclosed |
| EP-2618856-A1 | DEODORANT COMPOSITION FOR SULFIDES | Takasago International Corporation (JP) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012039516-A1 | DEODORANT COMPOSITION FOR SULFIDES | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2012-03-29 | — | — | WO | disclosed |
| US-4212773-A | Perfumery compositions with trimethyl-tetrahydropyran-2-ones | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1980-07-15 | — | — | US | disclosed |
| US-4212773-A | Perfumery compositions with trimethyl-tetrahydropyran-2-ones | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1980-07-15 | — | — | US | disclosed |
| US-4212773-A | Perfumery compositions with trimethyl-tetrahydropyran-2-ones | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1980-07-15 | — | — | US | disclosed |
| EP-0004978-A1 | Use of 4,6,6-trimethyltetrahydropyran-2-one and a mixture thereof with 4,4,6-trimethyltetrahydropyran-2-one in a weight ratio of 60:40 as fragrances and fragrant compositions containing them | Henkel Kommanditgesellschaft auf Aktien (DE) | 1979-10-31 | — | — | EP | disclosed |