SCHEMBL1245680

SCHEMBL1245680

CC(C)C1=CCC(C)(O)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
SCHEMBL3140263 0.75 ALDH1A1 (0.35)
SCHEMBL18751499 0.74 PTPN1 (0.31)
SCHEMBL10327960 0.73 FFAR3 (0.40)
SCHEMBL27459347 0.72 PTPN1 (0.31)
SCHEMBL21945407 0.72 USP2 (0.32)
SCHEMBL22516443 0.71
SCHEMBL20760775 0.69
SCHEMBL31290424 0.69 HSD17B10 (0.32)
SCHEMBL17125200 0.68 CYP2D6 (0.39)
SCHEMBL28901112 0.67 KDM5B (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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4096618-B1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2025-01-29 EP claimed
EP-4438065-A2 A MIXTURE COMPRISING 1,2-ALKANEDIOLS Symrise AG (DE) 2024-10-02 EP claimed
US-20240050337-A1 A MIXTURE COMPRISING 1,2-ALKANEDIOLS SYMRISE AG (DE) 2024-02-15 US claimed
CN-116490160-A A mixture containing 1, 2-alkanediol 西姆莱斯股份公司 2023-07-25 CN claimed
US-20220364016-A1 PERFUME OIL MIXTURE SYMRISE AG (DE) 2022-11-17 US claimed
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
US-20190209441-A1 GEL NETWORK HAIR TREATMENT COMPOSITIONS WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-07-11 US claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
US-20190175476-A1 HAIR COLORING OR BLEACHING COMPOSITION WITH REDUCED ODOR WELLA OPERATIONS US, LLC 2019-06-13 US claimed
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-20160089464-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049394-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049397-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2014001059-A1 ANTIMICROBIAL COMPOSITION UNILEVER N.V. (NL) 2014-01-03 WO claimed
US-8592621-B2 Precursor compounds of sweet taste receptor antagonists for the prevention or treatment of disease SYMRISE AG (DE) 2013-11-26 US claimed
US-20110045069-A1 PRECURSOR COMPOUNDS OF SWEET TASTE RECEPTOR ANTAGONISTS FOR THE PREVENTION OR TREATMENT OF DISEASE SYMRISE GMBH CO. KG (DE) 2011-02-24 US claimed