SCHEMBL4453593

SCHEMBL4453593

C=C(CCCN)C(=O)OCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
HTR2C P28335 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE4D Q08499 1/20 0.37
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL10830013 0.93 TSHR (0.49) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL2048244 0.91 CYP1A2 (0.46) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL3081526 0.89 TSHR (0.55) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL4351908 0.87 TSHR (0.46) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL2820294 0.87 TSHR (0.46) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL3502248 0.87 TSHR (0.58) TSHRALDH1A1HPGDATMNAAA
Ethylene SCHEMBL27507038 0.87 TSHR (0.53) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL29168696 0.87 TSHR (0.53) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL7765331 0.87 CYP1A2 (0.40) TSHRCYP1A2ALDH1A1HPGDATM
SCHEMBL3361215 0.86 TSHR (0.49) TSHRCYP1A2ALDH1A1HPGDHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192908-B2 Encapsulated solid hydrophilic particles ENCAPSYS, LLC (US) 2015-11-24 US disclosed
US-20130245153-A1 ENCAPSULATED SOLID HYDROPHILIC PARTICLES WELD-ON ADHESIVES, INC. 2013-09-19 US disclosed
US-7521506-B2 Emulsifier-free microgel BOLLIG & KEMPER GMBH & CO. KG (DE) 2009-04-21 US disclosed
EP-1171475-B9 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2008-07-16 EP disclosed
EP-1171475-B1 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2007-09-26 EP disclosed
US-20060128859-A1 Emulsifier-free microgel BOLLIG & KEMPER GMBH & CO. KG (DE) 2006-06-15 US disclosed
EP-1169354-B1 CROSS-LINKED MICROPARTICLES, METHOD FOR THE PRODUCTION AND USE THEREOF CRAY VALLEY SA (FR) 2005-07-20 EP disclosed
EP-0950070-B1 PARTICLES HAVING SURFACE PROPERTIES AND METHODS OF MAKING THEM CIBA SPEC CHEM WATER TREAT LTD (GB) 2002-02-06 EP disclosed
EP-1171475-A1 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2002-01-16 EP disclosed
EP-1169354-A1 CROSS-LINKED MICROPARTICLES, METHOD FOR THE PRODUCTION AND USE THEREOF CRAY VALLEY SA (FR) 2002-01-09 EP disclosed
WO-2000059951-A1 CROSS-LINKED MICROPARTICLES, METHOD FOR THE PRODUCTION AND USE THEREOF CRAY VALLEY S.A. (FR) 2000-10-12 WO disclosed
WO-2000059953-A1 THERMOSETTING RESIN COMPOSITIONS COMPRISING CROSS-LINKED REACTIVE MICROPARTICLES WITH IMPROVED MECHANICAL STRENGTH CRAY VALLEY SA (FR) 2000-10-12 WO disclosed
EP-0792478-A1 A PROCESS FOR MAKING A FLEXOGRAPHIC PRINTING PLATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-03 EP disclosed
WO-1996016356-A1 A PROCESS FOR MAKING A FLEXOGRAPHIC PRINTING PLATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-30 WO disclosed
EP-0654150-A1 A FLEXOGRAPHIC PRINTING ELEMENT HAVING AN IR ABLATABLE LAYER AND PROCESS FOR MAKING A FLEXOGRAPHIC PRINTING PLATE. DU PONT (US) 1995-05-24 EP disclosed
WO-1994003838-A1 A FLEXOGRAPHIC PRINTING ELEMENT HAVING AN IR ABLATABLE LAYER AND PROCESS FOR MAKING A FLEXOGRAPHIC PRINTING PLATE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-17 WO disclosed
US-5045171-A Acrylic polymers having a critically lower ratio of water content to anion exchange capacity IONICS, INCORPORATED (US) 1991-09-03 US disclosed
US-4406737-A Creping paper using cationic water soluble addition polymer ROHM AND HAAS COMPANY (US) 1983-09-27 US disclosed
US-4318956-A WOVEN OR KNIT FABIRCS ROHM AND HAAS COMPANY (US) 1982-03-09 US disclosed
US-4308092-A POLYMER IN AQUEOUS SOLUTION ROHM AND HAAS COMPANY (US) 1981-12-29 US disclosed