SCHEMBL11599006

SCHEMBL11599006

C=COC(C)=O.O=C(O)/C(CCCCCCCCBr)=C(\CCCCCCCCBr)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
THRB P10828 1/20 0.39
PGGT1B P53609 1/20 0.39
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
PTGS2 P35354 2/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 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
SCHEMBL5905495 0.85 FNTA (0.56) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL5905497 0.85 FNTA (0.56) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL5176150 0.81 FNTA (0.46) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL5176148 0.81 FNTA (0.46) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL27602635 0.80 TSHR (0.39) ALDH1A1LMNATSHRABCC4MAPT
SCHEMBL11599201 0.78 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL11597514 0.78 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL11599194 0.78 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL11596490 0.78 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL11596484 0.78 FNTA (0.50) FNTAFNTBTHRBPGGT1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4107122-A Copolymer plasticizers comprising novel ω-bromoalkyl esters of acyclic unsaturated dicarboxylic acids MONSANTO COMPANY (US) 1978-08-15 US disclosed
US-4058658-A Copolymers of ω-bromoalkyl esters of acyclic unsaturated dicarboxylic acids MONSANTO COMPANY (US) 1977-11-15 US disclosed