SCHEMBL27339348

SCHEMBL27339348

Br[Mg]Br.[c]1cc2ccccc2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.36
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PAX8 Q06710 1/20 0.30
TRPM4 Q8TD43 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
SCHEMBL25131 0.91 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL27616289 0.89 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2409179 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2452867 0.76 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7414230 0.75 CA1 (0.37) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL235409 0.75 HPRT1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL234963 0.75 HPRT1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL70329 0.75 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL7466246 0.75 CDK4 (0.39) ALDH1A1
SCHEMBL17511980 0.75 KDM4E (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
CN-115873226-B Copolycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2024-05-03 CN disclosed
CN-115873226-A Copolycarbonate, preparation method and application thereof 万华化学集团股份有限公司 2023-03-31 CN disclosed
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN disclosed
CN-101462956-A (meth)acrylate compound having aromatic acid labile group, photosensitive polymer, resist composition, and associated methods CHEIL IND INC (KR) 2009-06-24 CN disclosed
CN-101391972-A Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-03-25 CN disclosed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN disclosed
CN-1166702-C Propylene Homopolymer, Propylene Copolymer and Propylene Elastomer 三井化学株式会社 2004-09-15 CN disclosed
CN-1104443-C Process for producing propylene polymer composition, and propylene polymer composition MITSUI PETROCHEMICAL IND (JP) 2003-04-02 CN disclosed
CN-1104444-C Process for the preparation of propylene polymer compositions MITSUI PETROCHEMICAL IND (JP) 2003-04-02 CN disclosed
CN-1048501-C Transition metal compound, olefin polymerization catalyst, and olefin polymerization method MITSUI PETROCHEMICAL IND (JP) 2000-01-19 CN disclosed
CN-1130915-A Process for producing propylene polymer composition, and propylene polymer composition MITSUI PETROCHEMICAL IND (JP) 1996-09-11 CN disclosed
CN-1122140-A Process for producing propylene polymer composition, and propylene polymer composition MITSUI PETROCHEMICAL IND (JP) 1996-05-08 CN disclosed
CN-1103405-A Transition metal compound, olefin polymerization catalyst, olefin polymerization process, and propylene polymer MITSUI PETROCHEMICAL IND (JP) 1995-06-07 CN disclosed