SCHEMBL4596306

SCHEMBL4596306

C=C(C(=O)OCCN)C(CCCC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.43
CA1 P00915 4/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.39
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
SLC1A3 P43003 1/20 0.38
CPB2 Q96IY4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CNR1 P21554 1/20 0.37
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 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
SCHEMBL4919357 0.97 CA2 (0.41) CA2CA1TSHRMAPK1SLC1A2
SCHEMBL4916463 0.94 CA2 (0.49) CA2CA1TSHRMAPK1SLC1A2
SCHEMBL4596321 0.90 HDAC1 (0.38) CA2CA1TSHRSLC1A2SLC1A1
SCHEMBL4912621 0.83 CA2 (0.36) CA2CA1TSHRMAPK1SLC1A2
SCHEMBL124310 0.82 THRB (0.36) CA2CA1TSHRSLC1A2SLC1A1
1-Bromobutane SCHEMBL12610218 0.81 TSHR (0.38) CA2CA1TSHRMAPK1ALDH1A1
SCHEMBL689149 0.81 TSHR (0.61) CA2CA1TSHRALDH1A1GRIK1
SCHEMBL17848563 0.81 TSHR (0.61) CA2CA1TSHRALDH1A1GRIK1
SCHEMBL7700420 0.80 TSHR (0.41) CA2CA1TSHRSLC1A2SLC1A1
Iodomethane SCHEMBL716674 0.79 THRB (0.34) CA2CA1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304757-B Block type ink resin and preparation method thereof 成都托展新材料股份有限公司 2023-08-11 CN claimed
US-20080293848-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-11-27 US claimed
WO-2008121308-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-10-09 WO claimed
EP-0628658-A1 Cellulosic, modified lignin and cationic polymer composition and process for making improved paper or paperboard CALGON CORPORATION (US) 1994-12-14 EP claimed
EP-0340975-A1 Ethylene copolymers as sorbers of metallic ions from solutions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-08 EP claimed
CN-114144399-A pH-responsive composition and use thereof 德克萨斯大学系统董事会 2022-03-04 CN disclosed
US-20080293848-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-11-27 US disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
WO-2008121308-A1 SELF-POLISHING ANTI-FOULING COMPOSITIONS THE SHERWIN-WILLIAMS COMPANY (US) 2008-10-09 WO disclosed
US-20080057434-A1 METHOD OF PRODUCING NON-MAGNETIC ONE-COMPONENT TONER FOR DEVELOPING ELECTROSTATIC IMAGE ZEON CORPORATION (JP) 2008-03-06 US disclosed
EP-1137727-B1 AQUEOUS COATING COMPOSITIONS DU PONT (US) 2008-01-09 EP disclosed
EP-1619225-A2 Aqueous pigment dispersion E.I.Du pont de nemours and company (US) 2006-01-25 EP disclosed
WO-2000026308-A1 AQUEOUS COATING COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-11 WO disclosed
US-5647956-A Cellulosic, modified lignin and cationic polymer composition and process for making improved paper or paperboard CALGON CORPORATION (US) 1997-07-15 US disclosed
US-5567277-A IMPROVING DRAINAGE, RETENTION, FORMATION BY MIXING A BLEND OF A HIGH MOLECULAR WEIGHT COPOLYMER COMPRISING (METH-) ACRYLOYLOXY- OR (METH-)ACRYLAMIDO ALKYL TRIMETHYL AMMONIUM CHLORIDE AND ACRYLAMIDE CALGON CORPORATION (US) 1996-10-22 US disclosed
US-5501772-A ACRYLAMIDE AND QUATERNARY AMMONIUM ACRYLATE CALGON CORPORATION (US) 1996-03-26 US disclosed
US-5501773-A IMPROVED DRAINAGE, RETENTION, FORMATION, SULFONATED LIGNIN CALGON CORPORATION (US) 1996-03-26 US disclosed
US-5478631-A Ink receptive layer containing pigment and binder of amphoteric latex KANZAKI PAPER MFG. CO., LTD. (JP) 1995-12-26 US disclosed
EP-0628658-A1 Cellulosic, modified lignin and cationic polymer composition and process for making improved paper or paperboard CALGON CORPORATION (US) 1994-12-14 EP disclosed
US-3990381-A Hydrophilic polymer coating for underwater structures NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed