SCHEMBL122097

SCHEMBL122097

CC(C)=CCSCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TRPA1 O75762 1/20 0.67
CYP2D6 P10635 3/20 0.50
HIF1A Q16665 2/20 0.50
POLB P06746 2/20 0.39
THRB P10828 2/20 0.39
CYP2C9 P11712 2/20 0.39
BLM P54132 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 2/20 0.38
NOS1 P29475 1/20 0.37
PHGDH O43175 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 2/20 0.34
ICMT O60725 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL14660861 0.82 MAPT (0.97) MAPTMEN1KMT2ATRPA1HIF1A
Farnesylthioacetic Acid SCHEMBL7775705 0.81 MAPT (1.00) MAPTMEN1KMT2ATRPA1HIF1A
Farnesylthioacetic Acid SCHEMBL1962463 0.81 MAPT (1.00) MAPTMEN1KMT2ATRPA1HIF1A
SCHEMBL7755092 0.76 NOS1 (0.48) MAPTMEN1KMT2ATRPA1ALDH1A1
SCHEMBL10595511 0.74 CYP2D6 (0.61) MAPTMEN1KMT2ATRPA1CYP2D6
SCHEMBL7602571 0.71
SCHEMBL4609003 0.71
SCHEMBL173833 0.70
SCHEMBL12708203 0.70 CYP2D6 (0.48) MAPTMEN1KMT2ATRPA1CYP2D6
SCHEMBL2034998 0.69 CYP2D6 (1.00) MAPTKMT2ACYP2D6HIF1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12098350-B2 Sulfur-containing volatile organic compounds in cannabis ABX INVESTMENTS, INC. (US) 2024-09-24 US claimed
US-11725160-B2 Sulfur-containing volatile organic compounds in cannabis ABX INVESTMENTS, INC. (US) 2023-08-15 US claimed
US-20220098510-A1 SULFUR-CONTAINING VOLATILE ORGANIC COMPOUNDS IN CANNABIS ABX INVESTMENTS, INC. 2022-03-31 US claimed
US-11214757-B2 Sulfur-containing volatile organic compounds in cannabis ABX INVESTMENTS, INC. (US) 2022-01-04 US claimed
US-20210253976-A1 SULFUR-CONTAINING VOLATILE ORGANIC COMPOUNDS IN CANNABIS ABX INVESTMENTS, INC. 2021-08-19 US claimed
US-20210251268-A1 SULFUR-CONTAINING VOLATILE ORGANIC COMPOUNDS IN CANNABIS ABX INVESTMENTS, INC. 2021-08-19 US claimed
EP-2219466-B1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE NESTEC SA (CH) 2012-03-07 EP claimed
US-20110027436-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE NESTEC S.A. (CH) 2011-02-03 US claimed
JP-2011502494-A 2011-01-27 JP claimed
EP-2219466-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE Nestec S.A. (CH) 2010-08-25 EP claimed
WO-2009062800-A1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE NESTEC S.A. (CH) 2009-05-22 WO claimed
EP-2931225-A1 PREPARATIONS Symrise AG (DE) 2015-10-21 EP disclosed
CN-101868154-B Use of thioester flavors to improve the flavor quality of ready-to-drink coffee upon retorting and storage NESTEC SA 2014-09-10 CN disclosed
WO-2014090293-A1 PREPARATIONS SYMRISE AG (DE) 2014-06-19 WO disclosed
EP-2219466-B1 USE OF THIOESTER FLAVORS TO IMPROVE THE FLAVOR QUALITY OF READY-TO-DRINK COFFEE UPON RETORTING AND STORAGE NESTEC SA (CH) 2012-03-07 EP disclosed
US-7316826-B2 Coffee aroma with improved stability SYMRISE GMBH & CO. KG (DE) 2008-01-08 US disclosed
EP-1513412-B1 COFFEE AROMA HAVING AN IMPROVED STABILITY SYMRISE GMBH & CO KG (DE) 2007-02-28 EP disclosed
EP-1513412-A2 COFFEE AROMA HAVING AN IMPROVED STABILITY Symrise GmbH & Co. KG (DE) 2005-03-16 EP disclosed
US-20040202767-A1 Coffee aroma with improved stability SYMRISE AG (DE) 2004-10-14 US disclosed
WO-2003101216-A2 COFFEE AROMA HAVING AN IMPROVED STABILITY SYMRISE GMBH & CO. KG (DE) 2003-12-11 WO disclosed