SCHEMBL2404913

SCHEMBL2404913

C=C(C)C(=O)ONC(=O)OCCC(=C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
EPHX1 P07099 1/20 0.35
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6211388 0.81 THRB (0.52) ALDH1A1THRBEPHX1TSHRPOLB
SCHEMBL4630934 0.80 TSHR (0.46) ALDH1A1THRBEPHX1TSHR
SCHEMBL16641681 0.78 ALDH1A1 (0.39) ALDH1A1THRBEPHX1TSHR
SCHEMBL20815 0.75 THRB (0.46) ALDH1A1THRBTSHR
SCHEMBL5174756 0.75 ALDH1A1 (0.43) ALDH1A1THRBTSHRTDP1
SCHEMBL6251963 0.75 CHRNB2 (0.47) EPHX1APEX1
SCHEMBL2404914 0.74 TSHR (0.47) ALDH1A1THRBTSHR
SCHEMBL28329174 0.74 ALDH1A1 (0.35) ALDH1A1THRBTSHR
SCHEMBL18124273 0.73 ACHE (0.39) ALDH1A1EPHX1TSHR
SCHEMBL1696448 0.73 ALDH1A1 (0.43) ALDH1A1THRBEPHX1TSHRTDP1

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
WO-2020237363-A1 COMPOSITE PARTICLES COMPRISING A HYDROPHOBIC DYE AND AN AMPHIPHILIC BLOCK COPOLYMER AND USE THEREOF IN OPTICAL APPLICATIONS COLOURSMITH LABS INC. (CA) 2020-12-03 WO disclosed
US-9322958-B2 Silicone hydrogel contact lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2016-04-26 US disclosed
US-20150219795-A9 Silicone Hydrogel Contact Lenses COOPERVISION INTERNATIONAL LIMITED (GB) 2015-08-06 US disclosed
US-20140200286-A1 Silicone Hydrogel Contact Lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2014-07-17 US disclosed
US-8637621-B2 Long-wearable soft contact lens COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2014-01-28 US disclosed
US-8614261-B2 Silicone hydrogel contact lens COOPERVISION INTERNATIONAL HOLDING COMPANY LP (BB) 2013-12-24 US disclosed
EP-1243960-B2 SOFT CONTACT LENS CAPABLE OF BEING WORN FOR A LONG PERIOD COOPERVISION INT HOLDING CO LP (BB) 2013-10-16 EP disclosed
US-8367746-B2 Silicone hydrogel contact lens COOPERVISION INTERNATIONAL HOLDING COMPANY (BB) 2013-02-05 US disclosed
US-20120252925-A1 Silicone Hydrogel Contact Lens COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2012-10-04 US disclosed
US-20110211158-A1 Long-Wearable Soft Contact Lens COOPERVISION INTERNATIONAL LIMITED (GB) 2011-09-01 US disclosed
EP-1243960-B1 SOFT CONTACT LENS CAPABLE OF BEING WORN FOR A LONG PERIOD ASAHIKASEI AIME CO LTD (JP) 2009-08-26 EP disclosed
US-20070066706-A1 Silicone hydrogel contact lens COOPERVISION, INC. (US) 2007-03-22 US disclosed
US-20060211789-A1 Long-wearable soft contact lens ASAHIKASEI AIME CO., LTD. (JP) 2006-09-21 US disclosed
US-20060063852-A1 Silicone hydrogel contact lens ASAHIKASEI AIME CO. LTD. (JP) 2006-03-23 US disclosed
US-6867245-B2 Long wearable soft contact lens ASAHIKASEI AIME CO., LTD. (JP) 2005-03-15 US disclosed
US-20040192872-A1 Long-wearable soft contact lens ASAHIKASEI AIME CO., LTD (JP) 2004-09-30 US disclosed
EP-1243960-A1 SOFT CONTACT LENS CAPABLE OF BEING WORN FOR A LONG PERIOD ASAHIKASEI AIME CO., Ltd. (JP) 2002-09-25 EP disclosed
US-20020016383-A1 Long wearable soft contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2002-02-07 US disclosed