SCHEMBL6744900

SCHEMBL6744900

Oc1ccccc1CC(Cc1ccccc1O)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.51
CYP3A4 P08684 3/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
HSPA5 P11021 1/20 0.50
KCNH2 Q12809 2/20 0.47
TSHR P16473 3/20 0.47
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
HIF1A Q16665 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA12 O43570 4/20 0.42
CA2 P00918 4/20 0.42
IDO1 P14902 2/20 0.42
CA9 Q16790 3/20 0.41
MPO P05164 1/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL231791 0.83 HSPA5 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3HSPA5
SCHEMBL29611994 0.83 HSPA5 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3HSPA5
SCHEMBL188373 0.79 TSHR (0.64) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL30455902 0.79 TSHR (0.64) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
Bromide SCHEMBL4863237 0.78 HSPA5 (0.45) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL29120613 0.78 HPGD (0.48) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL10617353 0.77 TSHR (0.55) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL11509581 0.76 HSPA5 (0.48) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL29282177 0.75 AKR1B1 (0.50) CYP2D6SLC6A2SLC6A4SLC6A3HSPA5
SCHEMBL17123317 0.75 HSPA5 (0.42) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727292-B2 MIXING AND METERING TOGETHER AT LEAST THREE SEPARATE REACTIVE CHEMICAL COMPONENT STREAMS COMPRISING ISOCYANATE COMPOSITIONS AND POLYOLS HUNTSMAN INTERNATIONAL LLC 2004-04-27 US disclosed
US-20020040072-A1 Manufacture of MDI-TDI based flexible polyurethane foams HUNTSMAN INTERNATIONAL LLC 2002-04-04 US disclosed
EP-0583929-B1 Flexible polyurethane foams using chlorinated alkanes ARCO CHEM TECH (US) 1998-10-14 EP disclosed
EP-0406702-B1 Preparation of polyurethane foams without using inert blowing agents UNION CARBIDE CHEM PLASTIC (US) 1997-03-05 EP disclosed
EP-0526178-B1 Pour-in-place flexible polyurethane foam articles ARCO CHEM TECH (US) 1996-10-16 EP disclosed
US-5395860-A Combustion resistance, durability ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1995-03-07 US disclosed
EP-0583929-A1 Flexible polyurethane foams using chlorinated alkanes ARCO Chemical Technology, L.P. (US) 1994-02-23 EP disclosed
EP-0526178-A2 Pour-in-place flexible polyurethane foam articles ARCO CHEMICAL TECHNOLOGY, INC. (US) 1993-02-03 EP disclosed
EP-0492464-A2 Reactive feed stream to replace inert blowing agent feed stream in a polyurethane foam process UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-07-01 EP disclosed
US-5124368-A Injecting reactants into mold bearing exterior covering without striking through, hydrophilic polyhydric compound with stabilizing effect ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-06-23 US disclosed
US-4950694-A Preparation of polyurethane foams without using inert blowing agents UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-08-21 US disclosed
US-4925890-A SILICONE, ORGANOPHOSPHORUS PROCESSING AID UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1990-05-15 US disclosed
US-4857593-A Process for processing thermoplastic polymers UNION CARBIDE CORPORATION (US) 1989-08-15 US disclosed
US-4849263-A INJECTION MOLDING REINFORCEMENT GLASS FIBERS UNION CARBIDE CORPORATION (US) 1989-07-18 US disclosed
US-4804771-A COUPLING AGENTS FOR GLASS FIBERS IN REINFORCED REACTION INJECTION MOLDING UNION CARBIDE CORPORATION (US) 1989-02-14 US disclosed
US-4622361-A Flame retarded high modulus polyurethane elastomers and method of making same UNION CARBIDE CORPORATION (US) 1986-11-11 US disclosed
US-4563499-A ADDITION-CONDENSATION GRAFT COPOLYMER THE CELOTEX CORPORATION (US) 1986-01-07 US disclosed
US-4546034-A PANEL MADE OF PHENOLIC RESIN, POLYMER OF CYCLIC NITROGENOUS VIN MONOMER AND UNSATURATED ESTER THE CELOTEX CORPORATION (US) 1985-10-08 US disclosed
US-4522877-A Extraction of polyoxyalkylene surfactants for phenolic foam stabilization THE CELOTEX CORPORATION (US) 1985-06-11 US disclosed
US-4520140-A Polyoxyalkylene/unsaturated diester reaction product for cellular foam stabilization THE CELOTEX CORPORATION (US) 1985-05-28 US disclosed