SCHEMBL4197577

SCHEMBL4197577

OCC=CC1C=CC=CC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30179885 1.00
SCHEMBL7669345 0.79
SCHEMBL21475347 0.79
SCHEMBL32670895 0.76
SCHEMBL21124153 0.75
SCHEMBL987323 0.72
SCHEMBL15219225 0.71
SCHEMBL17361190 0.71
SCHEMBL22753318 0.69 POLB (0.31)
SCHEMBL636824 0.69 POLB (0.31)

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986090-A Novel fragrances with rose scent 西姆莱斯股份公司 2024-05-07 CN disclosed
EP-4330361-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-03-06 EP disclosed
CN-110446778-B 2,3, 6-trimethylcyclohexanol as fragrance and/or flavoring agent 西姆莱斯有限公司 2024-03-01 CN disclosed
EP-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 EP disclosed
CN-112469685-B Novel fragrances with rose scent 西姆莱斯股份公司 2024-01-02 CN disclosed
CN-117203313-A 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume 西姆莱斯股份公司 2023-12-08 CN disclosed
CN-105219527-B Tetrahydrofuran derivatives as fragrances 西姆莱斯股份公司 2023-11-14 CN disclosed
CN-116964182-A 2, 6-trimethyl-pinan-2-ol as fragrance 西姆莱斯股份公司 2023-10-27 CN disclosed
CN-110546247-B 4-ethyl-octene-2/3-carbonitriles as fragrances 西姆莱斯有限公司 2023-02-03 CN disclosed
CN-115551829-A Odorants and compositions comprising odorants 丝趣科尔卡有限公司 2022-12-30 CN disclosed
CN-110546247-A 4-ethyl-octene-2/3-carbonitriles as fragrances SYMRISE AG 2019-12-06 CN disclosed
US-20090010958-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2009-01-08 US disclosed
US-20080064625-A1 4-Phenylpentan-2-ol as a fragrance and flavouring SYMRISE GMBH & CO. KG (DE) 2008-03-13 US disclosed
EP-1781239-A2 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR Patus Ltd (IL) 2007-05-09 EP disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed
WO-2005046632-A9 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD (IL) 2005-09-22 WO disclosed
WO-2005046632-A2 COMPOSITIONS EFFECTIVE IN ALTERING THE PERCEPTION OF MALODOR PATUS LTD. (IL) 2005-05-26 WO disclosed
EP-0246504-B1 PROCESS FOR THE PREPARATION OF A MIXTURE OF AN ALDEHYDE WITH THE CORRESPONDING ALCOHOL Shin-Etsu Chemical Co., Ltd. (JP) 1992-08-26 EP disclosed
US-4760196-A Reacting carboxylic acid and a chloroformate ester in presence of an acid acceptor to form intermediate, reducing product with sodium borohidride SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0246504-A2 Process for the preparation of a mixture of an aldehyde with the corresponding alcohol Shin-Etsu Chemical Co., Ltd. (JP) 1987-11-25 EP disclosed