SCHEMBL3963329

SCHEMBL3963329

CC(CC(c1ccccc1)(c1ccccc1O)c1ccccc1O)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CYP3A4 P08684 1/20 0.37
KIF11 P52732 2/20 0.37
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
KCNA5 P22460 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL3967693 0.82 ALDH1A1 (0.62) ALDH1A1TSHRTDP1CYP3A4KIF11
SCHEMBL18076586 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL985016 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL30639004 0.79 ALDH1A1 (0.48) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL1836839 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL7109719 0.78 ALDH1A1 (0.52) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL8413404 0.77 ALDH1A1 (0.45) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL30639006 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL18076575 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL983859 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTDP1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572611-B1 PROCESS FOR THE SYNTHESIS OF BISPHENOL SABIC INNOVATIVE PLASTICS IP (NL) 2009-07-22 EP disclosed
US-7132575-B2 Process for the synthesis of bisphenol GENERAL ELECTRIC COMPANY (US) 2006-11-07 US disclosed
US-7112702-B2 Process for the synthesis of bisphenol GENERAL ELECTRIC COMPANY (US) 2006-09-26 US disclosed
EP-1572611-A1 PROCESS FOR THE SYNTHESIS OF BISPHENOL GENERAL ELECTRIC COMPANY (US) 2005-09-14 EP disclosed
WO-2005005358-A1 PROCESS FOR THE SYNTHESIS OF BISPHENOL GENERAL ELECTRIC COMPANY (US) 2005-01-20 WO disclosed
US-20050004406-A1 Process for the synthesis of bisphenol SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2005-01-06 US disclosed
WO-2004054949-A1 PROCESS FOR THE SYNTHESIS OF BISPHENOL GENERAL ELECTRIC COMPANY (US) 2004-07-01 WO disclosed
US-20040116751-A1 PROCESS FOR THE SYNTHESIS OF BISPHENOL SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2004-06-17 US disclosed
US-6133190-A SUPPORTED MERCAPTOAKYL-SUBSTITUTED POLYSTYRENESULFONATE IS USED AS A CATALYST FOR CONDENSATION OF ALDEHYDE OR KETONE WITH PHENOL TO FORM DIHYDROXY COMPOUND THE DOW CHEMICAL COMPANY (US) 2000-10-17 US disclosed
US-6051658-A A POLYSTYRENE HAVING MERCAPTOSULFONIC ACID RESIDUE, USEFUL AS CATALYST THE DOW CHEMICAL COMPANY (US) 2000-04-18 US disclosed
US-5939494-A CATALYST USEFUL FOR THE CONDENSATION OF AN ALDEHYDE OR KETONE STARTING MATERIAL WITH A PHENOL IS AN INSOLUBLE MERCAPTOSULFONIC ACID COMPOUND THE DOW CHEMICAL COMPANY (US) 1999-08-17 US disclosed
EP-0848693-A4 ISOMERIZATION OF BISPHENOLS DOW CHEMICAL CO (US) 1999-03-17 EP disclosed
CN-1200105-A Isomerization of bisphenols DOW CHEMICAL CO (US) 1998-11-25 CN disclosed
EP-0848693-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1998-06-24 EP disclosed
WO-1997008122-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO disclosed
EP-0725771-A1 PROCESS FOR MAKING POLYPHENOLS FROM KETONES OR ALDEHYDES AND PHENOLS THE DOW CHEMICAL COMPANY (US) 1996-08-14 EP disclosed
WO-1996006819-A1 PROCESS FOR MAKING POLYPHENOLS FROM KETONES OR ALDEHYDES AND PHENOLS THE DOW CHEMICAL COMPANY (US) 1996-03-07 WO disclosed
US-5463140-A Condensing aldehyde or ketone with phenol in presence of soluble or insoluble mercaptosulfonic acid compound to form geminal bisphenol moiety at each aldehyde or ketone moiety THE DOW CHEMICAL COMPANY (US) 1995-10-31 US disclosed