⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL715360 | 0.91 | — | — | |
| SCHEMBL30754365 | 0.91 | — | — | |
| SCHEMBL21986513 | 0.91 | — | — | |
| Lyral SCHEMBL21001046 | 0.83 | CES2 (0.33) | — | |
| SCHEMBL5019006 | 0.77 | CES2 (0.41) | — | |
| SCHEMBL21986508 | 0.76 | MEN1 (0.50) | — | |
| SCHEMBL29626005 | 0.76 | MEN1 (0.50) | — | |
| SCHEMBL717922 | 0.76 | MEN1 (0.50) | — | |
| SCHEMBL16245423 | 0.74 | — | — | |
| SCHEMBL16245424 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2638136-B1 | FRAGRANCE COMPOSITIONS COMPRISING SPECIAL MIXTURES OF DIASTEREOMERS OF 2-ISOBUTYL-4-METHYL-TETRAHYDRO-2H-PYRAN-4-OL | BASF SE (DE) | 2014-07-02 | — | — | EP | disclosed |
| US-20130230476-A1 | Fragrance Compositions Comprising Special Mixtures of Diastereomers of 2-Isobutyl-4-Methyl-Tetrahydro-2H-Pyran-4-OL | BASF SE (DE) | 2013-09-05 | — | — | US | disclosed |
| US-20130230476-A1 | Fragrance Compositions Comprising Special Mixtures of Diastereomers of 2-Isobutyl-4-Methyl-Tetrahydro-2H-Pyran-4-OL | BASF SE (DE) | 2013-09-05 | — | — | US | disclosed |
| WO-2012062771-A1 | FRAGRANCE COMPOSITIONS COMPRISING SPECIAL MIXTURES OF DIASTEREOMERS OF 2-ISOBUTYL-4-METHYL-TETRAHYDRO-2H-PYRAN-4-OL | BASF SE (DE) | 2012-05-18 | — | — | WO | disclosed |
| WO-2011029743-A1 | LILY OF THE VALLEY-TYPE FRAGRANCE COMPOSITIONS COMPRISING 2,5,7,7-TETRAMETHYLOCTANAL | BASF SE (DE) | 2011-03-17 | — | — | WO | disclosed |