⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3370357 | 1.00 | — | — | |
| SCHEMBL20764705 | 1.00 | — | — | |
| SCHEMBL583714 | 1.00 | — | — | |
| SCHEMBL309437 | 1.00 | — | — | |
| SCHEMBL111561 | 1.00 | — | — | |
| SCHEMBL23610304 | 1.00 | — | — | |
| SCHEMBL13001479 | 1.00 | — | — | |
| SCHEMBL3663078 | 1.00 | — | — | |
| Water SCHEMBL13281173 | 0.98 | — | — | |
| SCHEMBL22069515 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3894399-B1 | (2S,4R)-4-METHYL-2-(2-METHYLBUT-1-EN-1-YL)TETRAHYDRO-2H-PYRAN AS PERFUME COMPONENT | GIVAUDAN SA (CH) | 2022-09-07 | — | — | EP | disclosed |
| US-20220048878-A1 | IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2022-02-17 | — | — | US | disclosed |
| EP-3894399-A1 | IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS | Givaudan SA (CH) | 2021-10-20 | — | — | EP | disclosed |
| WO-2020120643-A1 | IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2020-06-18 | — | — | WO | disclosed |
| EP-3666763-A1 | (2S,4R)-4-METHYL-2-(2-METHYLBUT-1-EN-1-YL)TETRAHYDRO-2H-PYRANEN AS FRAGRANCE INGREDIENT | Givaudan SA (CH) | 2020-06-17 | — | — | EP | disclosed |
| WO-2019037862-A1 | ORGANOSULPHUR COMPOUNDS AS ODORANTS AND FLAVOURINGS | SYMRISE AG (DE) | 2019-02-28 | — | — | WO | disclosed |
| WO-2019037862-A1 | ORGANOSULPHUR COMPOUNDS AS ODORANTS AND FLAVOURINGS | SYMRISE AG (DE) | 2019-02-28 | — | — | WO | disclosed |
| US-5858348-A | Perfume composition containing (4R)-cis-4-methyl-2-substituted-tetrahydro-2H-pyran derivative and method for improving fragrance by using (4R)-cis-4-methyl-2-substituted-tetrahydro-2H-pyran derivative | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1999-01-12 | — | — | US | disclosed |
| EP-0770670-A2 | Perfume composition containing (4R)-cis-4-methyl-2-substituted-tetrahydro-2H-pyran derivative and method for improving fragrance by using it | Takasago International Corporation (JP) | 1997-05-02 | — | — | EP | disclosed |