SCHEMBL585726

SCHEMBL585726

COC1(OC)CCCCCCCCCCC1.OCC1CCCCCCCCCCC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2931908 0.83 APLNR (0.32)
SCHEMBL23851969 0.80 APLNR (0.32)
SCHEMBL17653506 0.76 GAA (0.33)
Methyl Alcohol SCHEMBL29267973 0.75 CYP1A2 (0.42) CYP1A2
SCHEMBL16260127 0.75 ESR1 (0.40) CYP1A2
SCHEMBL13646378 0.75 ESR1 (0.40) CYP1A2
SCHEMBL20903 0.75
SCHEMBL738125 0.75 ESR1 (0.40) CYP1A2
SCHEMBL14306984 0.75 ESR1 (0.40) CYP1A2
SCHEMBL330190 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055094-A1 PIGMENT PARTICLES Symrise AG (DE) 2022-09-14 EP disclosed
EP-3968784-A1 FRAGRANCE OR FLAVOURING AGENT MIXTURE Symrise AG (DE) 2022-03-23 EP disclosed
EP-3873658-A1 METHOD FOR PRODUCING MICROPARTICLES WHICH ARE CHARGED WITH AN ACTIVE MATERIAL BASF SE (DE) 2021-09-08 EP disclosed
EP-3853199-A1 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS Symrise AG (DE) 2021-07-28 EP disclosed
WO-2021104624-A1 DEVICE AND METHOD FOR DETERMINING, ANALYTICALLY AND BY SENSING, THE RELEASE OF AN ACTIVE SUBSTANCE FROM A RELEASE SYSTEM SYMRISE AG (DE) 2021-06-03 WO disclosed
EP-3634368-B1 POWDER CONTAINING CRYSTALS COMPRISING INGREDIENTS ENCLOSED THEREIN SYMRISE AG (DE) 2021-03-17 EP disclosed
WO-2021008696-A1 FRAGRANCE MIXTURE CONTAINING 1,3-PROPANEDIOL SYMRISE AG (DE) 2021-01-21 WO disclosed
WO-2021004638-A1 METHOD FOR THE RECOVERY OR ENRICHMENT OF FLAVOURS OF FRAGRANCES FROM AN AROMA-LADEN GAS PHASE AND AN AROMA CONCENTRATE SYMRISE AG (DE) 2021-01-14 WO disclosed
WO-2020233778-A1 FRAGRANCE OR FLAVOURING AGENT MIXTURE SYMRISE AG (DE) 2020-11-26 WO disclosed
EP-3601508-B1 5-BICYCLO[2.2.1]HEPT-2-ENYL-ACETATE AS A SCENTING AND/OR FLAVORING AGENT SYMRISE AG (DE) 2020-09-02 EP disclosed
EP-1599434-B1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE SYMRISE GMBH & CO KG (DE) 2007-12-12 EP disclosed
EP-1847181-A1 New applications for nonenolide Symrise GmbH & Co. KG (DE) 2007-10-24 EP disclosed
EP-1847588-A1 New applications for 4-methyl-5-hydroxy hexane acid lactone Symrise GmbH & Co. KG (DE) 2007-10-24 EP disclosed
WO-2007085631-A1 DERIVATIVES OF BICYCLO[4.3.0]NONA-3,7-DIENE AND USE THEREOF SYMRISE GMBH & CO. KG (DE) 2007-08-02 WO disclosed
WO-2007065755-A1 2-METHOXYMETHYLPHENOL AS PERFUME AND AROMA SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2007-06-14 WO disclosed
WO-2007060048-A1 2-METHYL-3-(5-METHYL-2-FURYL)BUTANAL SYMRISE GMBH & CO. KG (DE) 2007-05-31 WO disclosed
EP-1631247-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2006-03-08 EP disclosed
EP-1599434-A1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE Symrise GmbH & Co. KG (DE) 2005-11-30 EP disclosed
WO-2004105724-A1 2-METHYL-5-PHENYLPENTANAL USED AS ROSE ODORIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-12-09 WO disclosed
WO-2004076393-A1 4-CYCLOHEXYL-2-BUTANOL AS AN ODIFEROUS SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2004-09-10 WO disclosed