SCHEMBL4606704

SCHEMBL4606704

CC(C)(C)C1=CCC(C=CC=O)C=C1

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
SCHEMBL12855261 0.82
SCHEMBL9635511 0.75
SCHEMBL1252691 0.74
SCHEMBL9636931 0.74
SCHEMBL7080592 0.74
SCHEMBL18872298 0.69
SCHEMBL28847681 0.68 ALDH1A1 (0.30)
SCHEMBL6480567 0.68
SCHEMBL18596075 0.65
SCHEMBL13670222 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115876897-A Method for simultaneously detecting multiple limited perfumes in cosmetics 汕头海关技术中心 2023-03-31 CN claimed
US-20250091984-A1 FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2025-03-20 US disclosed
CN-119391494-A Essence light stabilizer and liquid detergent composition applied by same 广州立白科技集团有限公司 2025-02-07 CN disclosed
CN-118048210-B Detergent composition 广州立白企业集团有限公司 2024-08-30 CN disclosed
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
CN-117090046-A Composition for reducing malodor and use thereof 阿吉莱克斯香料和香水公司 2023-11-21 CN disclosed
US-11674110-B2 Compositions containing lauryl methacrylate for malodor reduction and uses thereof AGILEX FLAVORS AND FRAGRANCES, INC (US) 2023-06-13 US disclosed
CN-115876897-A Method for simultaneously detecting multiple limited perfumes in cosmetics 汕头海关技术中心 2023-03-31 CN disclosed
EP-4086329-A1 PERFUME COMPOSITIONS JOHNSON & JOHNSON CONSUMER INC. (US) 2022-11-09 EP disclosed
EP-3325707-B1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF AGILEX FLAVORS & FRAGRANCES INC (US) 2021-09-29 EP disclosed
US-20180010065-A1 PERFUME COMPOSITIONS JOHNSON & JOHNSON CONSUMER INC. (US) 2018-01-11 US disclosed
US-9796945-B2 Perfume compositions JOHNSON & JOHNSON CONSUMER INC. (US) 2017-10-24 US disclosed
US-20160304806-A1 PERFUME COMPOSITIONS JOHNSON & JOHNSON CONSUMER INC. 2016-10-20 US disclosed
US-20160222316-A1 PERFUME COMPOSITIONS JOHNSON & JOHNSON CONSUMER INC. (US) 2016-08-04 US disclosed
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP disclosed
EP-1347036-B1 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-06-25 EP disclosed
US-6930083-B2 Isomer composition excellent in chemical resistance containing optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance compositions containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-08-16 US disclosed
EP-1347036-A2 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
US-4996365-A Preparation of alkyl-substituted cinnamaldehydes BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed