SCHEMBL7868051

SCHEMBL7868051

C=C(C(=O)O)C(OC(C)=O)C(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7866427 0.79 CYP2C19 (0.30)
SCHEMBL27996325 0.79 TSHR (0.40) TSHR
SCHEMBL7869675 0.76
SCHEMBL7866328 0.74 CYP3A4 (0.30)
SCHEMBL7861428 0.72
SCHEMBL8206813 0.72
SCHEMBL5792192 0.70 TSHR (0.46) TSHRHSD17B10TDP1
SCHEMBL7872818 0.69 TSHR (0.37) TSHR
SCHEMBL27792310 0.68 LMNA (0.44) TSHRHSD17B10TDP1
SCHEMBL2465321 0.65 TSHR (0.36) TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124786-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA-METHYLENE- BETA-HYDROXY ACIDS Uniroyal Chemical Company, Inc. (US) 2001-08-22 EP claimed
WO-2000027793-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA- METHYLENE- BETA- HYDROXY ACIDS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-05-18 WO claimed
US-6310237-B1 REACTIONS OF ALPHA-UNSATURATED CARBOXY ACIDS, ESTERS, AMIDES OR THIOESTERS WITH OF 1.) A LEWIS ACID OR BASE OR 2.) HYDROGEN AND TRANSITION METALS OR THEIR OXIDES, OR 3.) ALKYL ALUMINUMS, ALKYL HYDRIDES, SOLUBLE NICKEL OR PALLADIUM SALTS UNIROYAL CHEMICAL COMPANY, INC. 2001-10-30 US disclosed
EP-1124786-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA-METHYLENE- BETA-HYDROXY ACIDS Uniroyal Chemical Company, Inc. (US) 2001-08-22 EP disclosed
US-6147251-A PREPARATION OF DERIVATIVES OF HALO-BUT-2-ENOIC ACIDS AND ESTERS HIGH IN 2-ENE CONTENT; CATALYST PROMOTERS IN ETHYLENE POLYMERIZATION AND COPOLYMERIZATION UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-11-14 US disclosed
WO-2000027793-A1 PROCESS FOR THE PREPARATION AND USES OF DERIVATIVES OF ESTERS OF ALPHA- METHYLENE- BETA- HYDROXY ACIDS UNIROYAL CHEMICAL COMPANY, INC. (US) 2000-05-18 WO disclosed