SCHEMBL5161683

SCHEMBL5161683

CCc1oc(C)cc1SSc1cc(C)oc1CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.32

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
SCHEMBL5161464 0.77
SCHEMBL4305463 0.73
SCHEMBL5158898 0.71
SCHEMBL4305603 0.71 NQO1 (0.40) NQO1
SCHEMBL3508454 0.70 NQO1 (0.38) NQO1
SCHEMBL17633425 0.70
SCHEMBL14625801 0.67 HSPA5 (0.32) NQO1
SCHEMBL11622877 0.65 KDM4E (0.33) NQO1
SCHEMBL5315829 0.64 MMP2 (0.49) NQO1
SCHEMBL4572609 0.64 ALDH1A1 (0.37) NQO1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293579-A Flavoring with 3,5-di-(2-methylpropyl)-1,2,4-trithiolane INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-10-06 US claimed
US-4041186-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-09 US claimed
US-4031256-A ORGANOLEPTIC, NUTTY TASTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US claimed
US-3985908-A 3-Furyl sulfides and foodstuff flavor compositions comprising same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-12 US claimed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
EP-1276391-B1 ETHYL 4-(THIOACETOXY)BUTYRATE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC (US) 2007-03-07 EP disclosed
US-6899911-B2 Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same INTERNATIONAL FLAVORS & FRAGRANCES, INC. 2005-05-31 US disclosed
US-20020090435-A1 Ethyl 4-(thioacetoxy)butyrate as a flavoring agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-07-11 US disclosed
US-4293579-A Flavoring with 3,5-di-(2-methylpropyl)-1,2,4-trithiolane INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-10-06 US disclosed
US-4263331-A FOODS, HAZELNUT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-21 US disclosed
US-4259507-A ROAST PORK FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-03-31 US disclosed
US-4041186-A ADJUVANTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-08-09 US disclosed
US-4031256-A ORGANOLEPTIC, NUTTY TASTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US disclosed
US-4020175-A MEAT AROMA AND FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-04-26 US disclosed
US-4007287-A Flavoring with (allyl)(2-methyl-3-furyl) sulfide INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-02-08 US disclosed
US-3988510-A 3-Furyl sulfides and foodstuff flavor compositions comprising same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-26 US disclosed
US-3985908-A 3-Furyl sulfides and foodstuff flavor compositions comprising same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-12 US disclosed