SCHEMBL110933

SCHEMBL110933

CC(C=O)=CCC1=C(C)CCCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
RARA P10276 5/20 0.41
RXRA P19793 5/20 0.41
ALDH1A1 P00352 10/20 0.41
CYP3A4 P08684 5/20 0.41
ALOX15 P16050 3/20 0.41
APP P05067 3/20 0.41
SNCA P37840 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
ALOX5 P09917 1/20 0.40
MAPT P10636 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL113634 1.00 RARB (0.41) RARBRARGRARARXRAALDH1A1
SCHEMBL28107465 0.98 ALDH1A1 (0.43) RARBRARGRARARXRAALDH1A1
Methyl Alcohol SCHEMBL28107104 0.98 RARB (0.41) RARBRARGRARARXRAALDH1A1
Ethylene Glycol SCHEMBL5117931 0.93 MEN1 (0.39) RARBRARGRARARXRAALDH1A1
Toluene SCHEMBL28239821 0.89 RARB (0.43) RARBRARGRARARXRAALDH1A1
SCHEMBL11648093 0.88 ALDH1A1 (0.53) RARBRARGRARARXRAALDH1A1
SCHEMBL11783700 0.88 ALDH1A1 (0.53) RARBRARGRARARXRAALDH1A1
SCHEMBL9187020 0.85 ALDH1A1 (0.49) RARBRARGRARARXRAALDH1A1
SCHEMBL9182001 0.85 ALDH1A1 (0.49) RARBRARGRARARXRAALDH1A1
SCHEMBL9209859 0.85 ALDH1A1 (0.49) RARBRARGRARARXRAALDH1A1

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

Appears in 2041 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325463-A1 COMPOSITIONS (III) SYMRISE AG (DE) 2025-10-23 US claimed
EP-4602141-A1 A FRAGRANCE MIXTURE (VI) Symrise AG (DE) 2025-08-20 EP claimed
EP-4532646-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-04-09 EP claimed
US-20250099349-A1 A FRAGRANCE MIXTURE SYMRISE AG (DE) 2025-03-27 US claimed
EP-4519403-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-03-12 EP claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4472606-A1 COMPOSITIONS (III) Symrise AG (DE) 2024-12-11 EP claimed
EP-4473079-A1 A FRAGRANCE MIXTURE Symrise AG (DE) 2024-12-11 EP claimed
US-20240358611-A1 COMPOSITIONS SYMRISE AG (DE) 2024-10-31 US claimed
EP-4429465-A1 COMPOSITIONS COMPRISING TRPM8 AGONISTIC COOLING AGENTS Symrise AG (DE) 2024-09-18 EP claimed
EP-1848702-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS Flexitral, Inc. (US) 2007-10-31 EP claimed
WO-2007093211-A1 PROCESS FOR THE TREATMENT OF AN AQUEOUS MIXTURE COMPRISING A DIPOLAR APROTIC COMPOUND DSM IP ASSETS B.V. (NL) 2007-08-23 WO claimed
EP-1800727-A1 Process for the treatment of an aqueous mixture comprising a dipolar aprotic compound DSMIP Assets B.V. (NL) 2007-06-27 EP claimed
US-20070014822-A1 Acetals, use thereof as fragrances and methods for production thereof SYMRISE GMBH & CO. KG (DE) 2007-01-18 US claimed
EP-1654246-B1 ACETALS, USE THEREOF AS FRAGRANCES AND METHODS FOR PRODUCTION THEREOF SYMRISE GMBH & CO KG (DE) 2006-11-15 EP claimed
US-20060205632-A1 Pro-fragrance and pro-flavorant compositions FLEXITRAL, INC. 2006-09-14 US claimed
WO-2006085048-A2 PRO-FRAGRANCE AND PRO-FLAVORANT COMPOSITIONS FLEXITRAL, INC. (US) 2006-08-17 WO claimed
EP-1654246-A1 ACETALS, USE THEREOF AS FRAGRANCES AND METHODS FOR PRODUCTION THEREOF Symrise GmbH & Co. KG (DE) 2006-05-10 EP claimed
WO-2005009984-A1 ACETALS, USE THEREOF AS FRAGRANCES AND METHODS FOR PRODUCTION THEREOF SYMRISE GMBH & CO. KG (DE) 2005-02-03 WO claimed
US-3953524-A Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols HOFFMANN-LA ROCHE INC. (US) 1976-04-27 US claimed