SCHEMBL3345733

SCHEMBL3345733

CCCCc1ccccc1CCC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LIPG Q9Y5X9 1/20 0.43
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
BID P55957 3/20 0.38
BCL2L1 Q07817 3/20 0.38
MCL1 Q07820 3/20 0.38
BAK1 Q16611 3/20 0.38
MMP2 P08253 2/20 0.38
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL30845912 1.00 TSHR (0.44) TSHRCYP3A4CYP2D6CYP2C9LIPG
Propionaldehyde SCHEMBL29282081 0.96 CYP3A4 (0.41) TSHRCYP3A4CYP2D6CYP2C9LIPG
SCHEMBL3693829 0.94 LIPG (0.50) TSHRLIPGTHRATHRBNR1H2
SCHEMBL28437315 0.92 LIPG (0.53) TSHRLIPGTHRATHRBNR1H2
SCHEMBL96898 0.92 TSHR (0.50) TSHRCYP3A4CYP2D6CYP2C9LIPG
Propionaldehyde SCHEMBL4564734 0.88 CYP3A4 (0.40) TSHRCYP3A4CYP2D6CYP2C9LIPG
SCHEMBL910304 0.88 ALDH1A1 (0.40) TSHRLIPG
SCHEMBL27695035 0.87 TSHR (0.40) TSHRCYP3A4CYP2D6CYP2C9LIPG
SCHEMBL910692 0.85 GABRA1 (0.39) TSHRCYP2D6MAPT
SCHEMBL28607303 0.85 ADH1B (0.36) TSHRCYP2D6THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3325707-B1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF AGILEX FLAVORS & FRAGRANCES INC (US) 2021-09-29 EP claimed
EP-3634503-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors & fragrances, Inc. (US) 2020-04-15 EP claimed
WO-2018213551-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES, INC. (US) 2018-11-22 WO claimed
EP-3325707-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF Agilex Flavors & fragrances, Inc. (US) 2018-05-30 EP claimed
WO-2017015173-A1 COMPOSITIONS FOR MALODOR REDUCTION AND USE THEREOF AGILEX FLAVORS & FRAGRANCES, INC. (US) 2017-01-26 WO claimed
US-20250065005-A1 VOLATILE COMPOSITION DISPENSER WITH CARTRIDGE FOR MULTIPLE VOLATILE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2025-02-27 US disclosed
WO-2024108077-A1 AEROSOL DISPENSER AND NOZZLE THE PROCTER & GAMBLE COMPANY (US) 2024-05-23 WO disclosed
WO-2024108076-A1 AEROSOL DISPENSER AND NOZZLE WITH REDUCED DRIP THE PROCTER & GAMBLE COMPANY (US) 2024-05-23 WO disclosed
CN-117980454-A Aldehyde composition 三菱瓦斯化学株式会社 2024-05-03 CN disclosed
EP-3634503-B1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES INC (US) 2024-01-10 EP disclosed
EP-3999344-A1 METHOD OF ATOMIZING A FLUID COMPOSITION The Procter & Gamble Company (US) 2022-05-25 EP disclosed
EP-3999125-A1 FRESHENING COMPOSITIONS AND METHODS OF ATOMIZING FRESHENING COMPOSITIONS WITH A THERMALLY-ACTUATED MICROFLUIDIC CARTRIDGE The Procter & Gamble Company (US) 2022-05-25 EP disclosed
EP-2512529-A1 ABSORBENT ARTICLE COMPRISING A MALODOR CONTROL COMPOSITION HAVING AN ACID CATALYST The Procter & Gamble Company (US) 2012-10-24 EP disclosed
WO-2012078208-A1 MALODOR CONTROL COMPOSITIONS COMPRISING MALODOR CONTROL POLYMERS AND ACID CATALYSTS AND METHODS THEREOF THE PROCTER & GAMBLE COMPANY (US) 2012-06-14 WO disclosed
WO-2010053891-A1 MALODOR CONTROL SYSTEM THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO disclosed
EP-2013826-A2 MODELING SYSTEMS FOR CONSUMER GOODS The Procter and Gamble Company (US) 2009-01-14 EP disclosed
WO-2008035333-A2 BIOLOGICAL FLUID RECEPTACLE LOTUS BIO INC. (US) 2008-03-27 WO disclosed
WO-2007122582-A2 MODELING SYSTEMS FOR CONSUMER GOODS THE PROCTER & GAMBLE COMPANY (US) 2007-11-01 WO disclosed
WO-1998041603-A1 FABRIC LAUNDRY TREATMENT COMPOSITION UNILEVER PLC (GB) 1998-09-24 WO disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed