SCHEMBL6130000

SCHEMBL6130000

CC(=O)C(C)SC(C)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL12018888 0.87
SCHEMBL6129980 0.79 ALDH1A1 (0.33) TSHRALDH1A1TDP1LMNATP53
SCHEMBL2180984 0.76
SCHEMBL25385810 0.73 ALDH1A1 (0.30) TSHRALDH1A1TDP1
SCHEMBL6886109 0.73
SCHEMBL16077445 0.73
Acetic Acid SCHEMBL20593199 0.73 FFAR3 (0.44) ALDH1A1LMNATP53FFAR3LCK
Hydrochloric Acid SCHEMBL529345 0.72
SCHEMBL78432 0.71 TP53 (0.47) TSHRALDH1A1LMNATP53
Acetic Acid SCHEMBL20593254 0.71 FFAR3 (0.41) ALDH1A1LMNATP53FFAR3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280419-A4 FURFURYL PROPYL DISULFIDE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC (US) 2005-01-19 EP disclosed
US-6824805-B2 ADMIXING INGESTIBLE VEHICLE (MEAT, DAIRY, AND BEVERAGE PRODUCTS) WITH ORGANOLEPTIC PURIFIED FURFURYL PROPYL DISULFIDE FORMED BY REACTING SODIUM FURFURYLTHIOLATE WITH SODIUM PROPYLTHIOSULFATE BUSH BOAKE ALLEN LTD. 2004-11-30 US disclosed
EP-1280419-A1 FURFURYL PROPYL DISULFIDE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME Bush Boake Allen Inc. (US) 2003-02-05 EP disclosed
US-20020110628-A1 Furfuryl propyl disulfide as a flavoring agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-08-15 US disclosed
WO-2001084959-A1 FURFURYL PROPYL DISULFIDE AS A FLAVORING AGENT AND METHODS FOR PREPARING AND USING SAME BUSH BOAKE ALLEN INC. (US) 2001-11-15 WO disclosed