SCHEMBL5069327

SCHEMBL5069327

C=Cc1ccc(COC(C)SC(C)OCc2ccc(C=C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
IDO1 P14902 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.31
RCE1 Q9Y256 1/20 0.31
TP53 P04637 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
SCHEMBL5199701 0.83 ALDH1A1 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21156384 0.80 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL9324006 0.79 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4440288 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6310633 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3957537 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1081809 0.79 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL188152 0.77 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15624242 0.77 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL26362800 0.76 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185887-A1 POLYMERIZABLE COMPOSITION FOR HIGH-REFRACTIVE OPTICAL MATERIAL AND METHOD FOR PREPARING HIGH-REFRACTIVE OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2016-06-30 US claimed
US-5910516-A PHOTOPOLYMERIZING AN UNSATURATED COMPOUND, AN ULTRAVIOLET PHOTOINITIATOR AND A PHOTOCHROMIC COMPOUND; USING A FILTER WHICH ELIMINATES THE UV LIGHT OF WAVELENGTH SHORTER THAN 400 NM. TOKUYAMA CORPORATION (JP) 1999-06-08 US claimed
JP-6065191-A None JP disclosed
US-20160185887-A1 POLYMERIZABLE COMPOSITION FOR HIGH-REFRACTIVE OPTICAL MATERIAL AND METHOD FOR PREPARING HIGH-REFRACTIVE OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2016-06-30 US disclosed
CN-105452310-A Polymerizable composition for high-refractive-index optical material and method for producing high-refractive-index optical material KOC SOLUTION CO LTD 2016-03-30 CN disclosed
EP-1549483-B1 METHODS FOR PREPARING COMPOSITE PHOTOCHROMIC OPHTHALMIC LENSES AND A PHOTOCHROMIC LENS & xA; SIGNET ARMORLITE INC (US) 2008-04-16 EP disclosed
EP-1312621-B1 Process for producing a photochromic cured product TOKUYAMA CORP (JP) 2007-06-06 EP disclosed
EP-1307524-B1 METHOD OF MANUFACTURING A PHOTOCHROMIC MOLDED ARTICLE ESSILOR INT (FR) 2006-07-05 EP disclosed
EP-1549483-A4 METHODS FOR PREPARING COMPOSITE PHOTOCHROMIC OPHTHALMIC LENSES SIGNET ARMORLITE INC (US) 2006-05-24 EP disclosed
EP-1549483-A1 METHODS FOR PREPARING COMPOSITE PHOTOCHROMIC OPHTHALMIC LENSES SIGNET ARMORLITE, INC. (US) 2005-07-06 EP disclosed
US-6863848-B2 Methods for preparing composite photochromic ophthalmic lenses SIGNET ARMORLITE, INC. (US) 2005-03-08 US disclosed
US-5880170-A TRANSPARENT LENSES FORMED BY CURING TOKUYAMA CORPORATION (JP) 1999-03-09 US disclosed
EP-0681018-B1 Photochromic composition and method of producing photochromic cured product TOKUYAMA CORP (JP) 1999-03-03 EP disclosed
EP-0795765-A2 Photopolymerizable composition and transparent cured product thereof TOKUYAMA CORPORATION (JP) 1997-09-17 EP disclosed
EP-0773271-A1 PROCESS FOR THE PRODUCTION OF PHOTOCHROMIC PRODUCT OF CURING TOKUYAMA CORPORATION (JP) 1997-05-14 EP disclosed
US-5621017-A PHOTOCHROMIC COMPOSITION INCLUDING RADICAL POLYMERIZABLE MONOMER, CHROMENE AND/OR SPIROOXAZINE BASED PHOTOCHROMIC COMPOUND, PHOTOPOLYMERIZATION INITIATOR TOKUYAMA CORPORATION (JP) 1997-04-15 US disclosed
US-5475074-A Copolamerizable monomers containing vinyl benzyl compound, 2,4-diphenyl-4-methyl-1-pentene and an acrylic momomer; also contains mercapto, hindered phenol and azo compounds; high refractive index, heat and radiation resistance TOKUYAMA CORPORATION (JP) 1995-12-12 US disclosed
EP-0681018-A2 Photochromic composition and method of producing photochromic cured product TOKUYAMA CORPORATION (JP) 1995-11-08 EP disclosed
EP-0609061-A2 Polymerizable composition, polymer, organic glass and ophthalmic lens TOKUYAMA CORPORATION (JP) 1994-08-03 EP disclosed
JP-H0665191-A VINYLBENZYL COMPOUND TOKUYAMA SODA CO LTD 1994-03-08 JP disclosed