⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4578418 | 0.91 | — | — | |
| SCHEMBL25338157 | 0.82 | SHBG (0.36) | — | |
| SCHEMBL28017744 | 0.81 | — | — | |
| SCHEMBL8652418 | 0.80 | SHBG (0.39) | — | |
| SCHEMBL4865547 | 0.80 | SHBG (0.39) | — | |
| SCHEMBL4865536 | 0.80 | SHBG (0.39) | — | |
| SCHEMBL11449188 | 0.80 | SHBG (0.39) | — | |
| SCHEMBL16024682 | 0.79 | — | — | |
| SCHEMBL3223235 | 0.76 | — | — | |
| SCHEMBL11045449 | 0.74 | ACHE (0.30) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1942178-B1 | Mixtures of 3-(4-Methyl-cyclohex-3-enyl)-butyraldehyde and 2,6-Dimethyl-7-octen-2-ol | SYMRISE GMBH & CO KG (DE) | 2010-03-17 | — | — | EP | claimed |
| EP-1966359-A1 | PERFUME COMPOSITIONS CONTAINING 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND 1,8-P-MENTHADIENE | Symrise GmbH & Co. KG (DE) | 2008-09-10 | — | — | EP | claimed |
| US-20080182774-A1 | MIXTURES CONTAINING 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND 2,6-DIMETHYL-7-OCTEN-2-OL | SYMRISE GMBH & CO. KG (DE) | 2008-07-31 | — | — | US | claimed |
| EP-1942178-A1 | Mixtures of 3-(4-Methyl-cyclohex-3-enyl)-butyraldehyde and 2,6-Dimethyl-7-octen-2-ol | Symrise GmbH & Co. KG (DE) | 2008-07-09 | — | — | EP | claimed |
| WO-2007073953-A1 | PERFUME COMPOSITIONS CONTAINING 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND 1,8-P-MENTHADIENE | SYMRISE GMBH & CO. KG (DE) | 2007-07-05 | — | — | WO | claimed |
| EP-1947166-B1 | Mixtures of 3-(4-methyl-cyclohex-3-enyl)-butyraldehyde and Ambrocenide and their uses and method | SYMRISE AG (DE) | 2011-01-19 | — | — | EP | disclosed |
| EP-1942178-B1 | Mixtures of 3-(4-Methyl-cyclohex-3-enyl)-butyraldehyde and 2,6-Dimethyl-7-octen-2-ol | SYMRISE GMBH & CO KG (DE) | 2010-03-17 | — | — | EP | disclosed |
| US-7601682-B2 | Mixtures of 3-(4-methylcyclohex-3-enyl)butyraldehyde and Ambrocenide® and corresponding uses and methods | SYMRISE GMBH & CO. KG (DE) | 2009-10-13 | — | — | US | disclosed |
| EP-1966359-A1 | PERFUME COMPOSITIONS CONTAINING 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND 1,8-P-MENTHADIENE | Symrise GmbH & Co. KG (DE) | 2008-09-10 | — | — | EP | disclosed |
| US-20080182774-A1 | MIXTURES CONTAINING 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND 2,6-DIMETHYL-7-OCTEN-2-OL | SYMRISE GMBH & CO. KG (DE) | 2008-07-31 | — | — | US | disclosed |
| EP-1947166-A1 | Mixtures of 3-(4-methyl-cyclohex-3-enyl)-butyraldehyde and Ambrocenide and their uses and method | Symrise GmbH & Co. KG (DE) | 2008-07-23 | — | — | EP | disclosed |
| EP-1942178-A1 | Mixtures of 3-(4-Methyl-cyclohex-3-enyl)-butyraldehyde and 2,6-Dimethyl-7-octen-2-ol | Symrise GmbH & Co. KG (DE) | 2008-07-09 | — | — | EP | disclosed |
| US-20080161224-A1 | MIXTURES OF 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND AMBROCENIDE® AND CORRESPONDING USES AND METHODS | SYMRISE GMBH & CO. KG (DE) | 2008-07-03 | — | — | US | disclosed |
| WO-2007073953-A1 | PERFUME COMPOSITIONS CONTAINING 3-(4-METHYLCYCLOHEX-3-ENYL)BUTYRALDEHYDE AND 1,8-P-MENTHADIENE | SYMRISE GMBH & CO. KG (DE) | 2007-07-05 | — | — | WO | disclosed |
| EP-1316553-B1 | Fragrances based on cyclic acetals | CELANESE CHEM EUROPE GMBH (DE) | 2005-06-01 | — | — | EP | disclosed |
| EP-1316553-A1 | Fragrances based on cyclic acetals | Celanese Chemicals Europe GmbH (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-4774076-A | DENTIFRICES, MOUTHWASHES | LION CORPORATION (JP) | 1988-09-27 | — | — | US | disclosed |
| US-4649044-A | DISCOLORATION INHIBITION | LION CORPORATION (JP) | 1987-03-10 | — | — | US | disclosed |
| US-4334100-A | Production of aldehydes | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 1982-06-08 | — | — | US | disclosed |