SCHEMBL8931339

SCHEMBL8931339

CCC(Cl)CC(Cl)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6760286 0.81 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL11465685 0.80 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL3715370 0.78
SCHEMBL1066841 0.74
SCHEMBL8931332 0.74
SCHEMBL21021642 0.71
SCHEMBL11058800 0.70
SCHEMBL12611818 0.68 SLC1A3 (0.56) ALDH1A1TDP1TSHRMAPK1
SCHEMBL10342959 0.68 TDP1 (0.37) ALDH1A1TDP1TSHRMAPK1
SCHEMBL1132276 0.68 NAALAD2 (0.48) ALDH1A1TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648498-A Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof ASTRA AKTIEBOLAG (SE) 1997-07-15 US disclosed
EP-0619815-B1 PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF ASTRA AB (SE) 1997-04-16 EP disclosed
EP-0546306-B1 5-(2-Chloroalkyl)-4-methylthiazoles, their preparation and their use, and intermediates for their preparation ASTRA AB (SE) 1997-04-16 EP disclosed
US-5534644-A Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof AKTIEBOLAGET ASTRA (SE) 1996-07-09 US disclosed
EP-0619815-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF. ASTRA AB (SE) 1994-10-19 EP disclosed
EP-0546306-A1 5-(2-Chloroalkyl)-4-methylthiazoles, their preparation and their use, and intermediates for their preparation Astra Aktiebolag (SE) 1993-06-16 EP disclosed
WO-1993009107-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF AKTIEBOLAGET ASTRA (SE) 1993-05-13 WO disclosed
US-4822813-A 3-(2-Haloalkyl)-1,4-oxathiins and 2-(2-haloalkyl)-1,4-dithiins, and treatment of leukemia and tumors therewith UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1989-04-18 US disclosed