SCHEMBL585651

SCHEMBL585651

CCCC(CCCC(=O)O)SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45

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
1-Hexanol SCHEMBL28154685 0.88 GPR84 (0.48) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL585258 0.82 ALDH1A1 (0.46) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7598569 0.82 ALDH1A1 (0.46) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7591895 0.82 ALDH1A1 (0.46) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL18525135 0.81 ALDH1A1 (0.44) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL25639990 0.79 ALDH1A1 (0.51) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7595792 0.79 ALDH1A1 (0.43) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL18525139 0.79 AKR1B1 (0.47) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL15135103 0.78 ALDH1A1 (0.42) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL11512805 0.78 FFAR4 (0.75) ALDH1A1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444108-B1 ALDEHYDE MIXTURES FOR FLAVOUR IMPROVEMENT SYMRISE AG (DE) 2025-09-10 EP claimed
WO-2025026525-A1 HETEROCYCLIC COMPOUNDS AS PHYSIOLOGICAL COOLANTS SYMRISE AG (DE) 2025-02-06 WO claimed
EP-4469439-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-12-04 EP claimed
EP-3689324-B1 NEW COOLING AGENTS AND PREPARATIONS COMPRISING THEM SYMRISE AG (DE) 2024-11-20 EP claimed
EP-4161293-B1 FLAVOURING COMPOSITION WITH BALANCED TASTE PROFILE SYMRISE AG (DE) 2024-01-31 EP claimed
EP-4161291-B1 FLAVORING COMPOSITIONS FOR TASTE IMPROVEMENT SYMRISE AG (DE) 2023-11-01 EP claimed
EP-4247791-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2023-09-27 EP claimed
WO-2023144326-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO claimed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO claimed
WO-2022106452-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO claimed
US-20180201883-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, COMPRISING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2018-07-19 US claimed
EP-2446751-B1 Heat-stable aroma particle with high impact SYMRISE AG (DE) 2018-01-10 EP claimed
EP-2742983-B1 Method for isolating fragrance and flavour compounds SYMRISE AG (DE) 2017-08-23 EP claimed
WO-2017092796-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2017-06-08 WO claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046050-A1 LIQUID CLEANING AGENT HAVING OPTIMIZED SCENT HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046054-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046282-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
EP-2559346-B1 Oleanene-type triterpene glycosides as masking agents SYMRISE AG (DE) 2014-03-26 EP claimed