SCHEMBL6914911

SCHEMBL6914911

C=C(C)C(=O)OCC(COC(C)=O)OC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.38
AR P10275 1/20 0.38
LMNA P02545 3/20 0.33
PRKCA P17252 3/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL11685876 0.96 TSHR (0.50) TSHRTDP1THRBALDH1A1AR
SCHEMBL35507 0.94 TSHR (0.63) TSHRTDP1THRBALDH1A1AR
SCHEMBL8682586 0.92 TSHR (0.57) TSHRTDP1THRBALDH1A1AR
SCHEMBL16803284 0.90 TSHR (0.63) TSHRTDP1THRBALDH1A1LMNA
SCHEMBL6914907 0.88 TSHR (0.61) TSHRTDP1THRBALDH1A1AR
SCHEMBL27534721 0.87 TSHR (0.46) TSHRTDP1THRBALDH1A1AR
SCHEMBL5693403 0.87 TSHR (0.55) TSHRTHRBALDH1A1ARLMNA
SCHEMBL22204656 0.87 TSHR (0.55) TSHRTDP1THRBALDH1A1LMNA
SCHEMBL12808955 0.87 TSHR (0.55) TSHRTDP1THRBALDH1A1LMNA
SCHEMBL1517252 0.85 TSHR (0.57) TSHRTDP1THRBALDH1A1PRKCA

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-1173404-B1 ACRYLATE MONOMER PREPARATION USING ALKALI METAL ALKOXIDES AS ESTER INTERCHANGE CATALYSTS AND BROMIDE SALT POLYMERIZATION INHIBITORS CIBA SC HOLDING AG (CH) 2004-02-04 EP disclosed
EP-1327622-A1 Acrylate monomer preparation using alkali metal alkoxides as ester interchange catalysts Ciba Specialty Chemicals Holding Inc. (CH) 2003-07-16 EP disclosed
EP-1173404-A1 ACRYLATE MONOMER PREPARATION USING ALKALI METAL ALKOXIDES AS ESTER INTERCHANGE CATALYSTS AND BROMIDE SALT POLYMERIZATION INHIBITORS Ciba SC Holding AG (CH) 2002-01-23 EP disclosed
US-6215018-B1 Acrylate monomer preparation using alkali metal alkoxides as ester interchange catalysts and bromide salt polymerization inhibitors CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-10 US disclosed
WO-2000064851-A1 ACRYLATE MONOMER PREPARATION USING ALKALI METAL ALKOXIDES AS ESTER INTERCHANGE CATALYSTS AND BROMIDE SALT POLYMERIZATION INHIBITORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-11-02 WO disclosed
US-6008404-A REACTING AN ALCOHOL OR POLYOL WITH AN ESTER OF A METHACRYLATE OR ACRYLATE IN PRESENCE OF TRANSESTERIFICATION CATALYST AND AN ALKALI METAL BROMIDE SALT TO PRODUCE ALCOHOL OR POLYOL ESTER OF ACRYLATE/METHACRYLATE FREE OF POLYMERIC DERIVATIVE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-12-28 US disclosed