SCHEMBL17634012

SCHEMBL17634012

CC1=CC(C)C2(CCCC(C)(C)C2)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
SCHEMBL30492646 1.00
SCHEMBL21001052 0.84
SCHEMBL15382036 0.72
SCHEMBL10767032 0.69
SCHEMBL21001104 0.66
SCHEMBL5200139 0.66 TRPA1 (0.30)
SCHEMBL16223147 0.65
SCHEMBL25189617 0.63 HSD11B1 (0.35)
SCHEMBL22614840 0.63 LIG1 (0.31)
SCHEMBL5200075 0.63 LIG1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197510-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS The Procter & Gamble Company (US) 2017-08-02 EP claimed
EP-3197507-A1 MALODOR REDUCTION COMPOSITIONS The Procter and Gamble Company (US) 2017-08-02 EP claimed
WO-2016049389-A1 MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049458-A1 DELIVERY SYSTEMS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
EP-3469055-A1 CLEANING COMPOSITIONS INCLUDING NUCLEASE ENZYME AND MALODOR REDUCTION MATERIALS The Procter & Gamble Company (US) 2019-04-17 EP disclosed
US-10092489-B2 Hydrophobically modified urea ethers as structurants for hydrophobic systems THE PROCTER & GAMBLE COMPANY (US) 2018-10-09 US disclosed
US-20170355933-A1 CLEANING COMPOSITIONS INCLUDING NUCLEASE ENZYME AND MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY 2017-12-14 US disclosed
WO-2017214244-A1 CLEANING COMPOSITIONS INCLUDING NUCLEASE ENZYME AND MALODOR REDUCTION MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2017-12-14 WO disclosed
US-20170258694-A1 HYDROPHOBICALLY MODIFIED UREA ETHERS AS STRUCTURANTS FOR HYDROPHOBIC SYSTEMS PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2017-09-14 US disclosed