⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9900218 | 0.78 | ALDH1A1 (0.31) | — | |
| Bicarbonate SCHEMBL11028780 | 0.72 | EPHX1 (0.38) | — | |
| Bicarbonate SCHEMBL8631190 | 0.70 | EPHX1 (0.36) | — | |
| SCHEMBL9949138 | 0.69 | CA1 (0.39) | — | |
| SCHEMBL24954674 | 0.69 | — | — | |
| SCHEMBL12265153 | 0.69 | — | — | |
| SCHEMBL701953 | 0.67 | — | — | |
| SCHEMBL8714911 | 0.67 | — | — | |
| SCHEMBL21080869 | 0.67 | — | — | |
| SCHEMBL21080888 | 0.67 | — | — |
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-2961374-A1 | FRAGRANCE COMPOSITIONS | The Procter & Gamble Company (US) | 2016-01-06 | — | — | EP | claimed |
| WO-2015089246-A1 | FRAGRANCE COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2015-06-18 | — | — | WO | claimed |
| EP-3139902-A2 | FRAGRANCE COMPOSITIONS | The Procter & Gamble Company (US) | 2017-03-15 | — | — | EP | disclosed |
| CN-104024199-B | The manufacture method of 1-(2-tert-butylcyclohexoxy)-2-butanol | 花王株式会社 | 2016-08-24 | — | — | CN | disclosed |
| CN-104024198-B | The manufacture method of 1-(2-tert-butylcyclohexoxy)-2-alkanol | 花王株式会社 | 2016-08-17 | — | — | CN | disclosed |
| WO-2015171738-A2 | FRAGRANCE COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2015-11-12 | — | — | WO | disclosed |
| EP-2931854-A1 | FRAGRANCE MATERIALS | The Procter & Gamble Company (US) | 2015-10-21 | — | — | EP | disclosed |
| WO-2014093807-A1 | FRAGRANCE MATERIALS | THE PROCTER & GAMBLE COMPANY (US) | 2014-06-19 | — | — | WO | disclosed |
| US-5776656-A | MULTILAYER WITH DIFFERENT OPTICAL CONSTANTS, CYANINE DYES, COMPLEX INDEX OF REFRACTION | TDK CORPORATION (JP) | 1998-07-07 | — | — | US | disclosed |