SCHEMBL4887765

SCHEMBL4887765

C=CC(=O)OCCCSCC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 2/20 0.59
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.45
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 4/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2721058 0.95 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL4888473 0.89 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22861291 0.88 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL10033083 0.87 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21385195 0.85 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL17416309 0.84 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL14509182 0.84 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28541902 0.82 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL4776683 0.82 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22931230 0.81 ACHE (0.50) TSHRHPGDALDH1A1CYP3A4TP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648160-B2 Optical semiconductor sealing material IDEMITSU KOSAN CO., LTD. (JP) 2014-02-11 US claimed
US-8648160-B2 Optical semiconductor sealing material IDEMITSU KOSAN CO., LTD. (JP) 2014-02-11 US disclosed
US-20120305982-A1 OPTICAL SEMICONDUCTOR SEALING MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2012-12-06 US disclosed
US-20080097072-A1 Optical Semiconductor Sealing Material IDEMITSU KOSAN CO., LTD. (JP) 2008-04-24 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0802067-B1 DIRECT DRAWING TYPE WATERLESS PLANOGRAPHIC ORIGINAL FORM PLATE TORAY INDUSTRIES (JP) 2002-04-24 EP disclosed
US-6096476-A DIRECTLY IMAGEABLE RAW PLATE HAVING A HEAT INSULATING LAYER, HEAT SENSITIVE LAYER COMPRISING A LIGHT TO HEAT CONVERTING MATERIAL AND INK REPLELLENT LAYER IN THIS ORDER ON SUBSTRATE; PLATE HAS SPECIFIED ELASTIC MODULUS AND TENSILE PROPERTIES TORAY INDUSTRIES, INC. (JP) 2000-08-01 US disclosed
EP-0678785-B1 DRY LITHOGRAPHIC PLATE TORAY INDUSTRIES (JP) 2000-05-10 EP disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
US-5866294-A HIGH DURABLE PRINTING TORAY INDUSTRIES, INC. (JP) 1999-02-02 US disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
EP-0802067-A1 DIRECT DRAWING TYPE WATERLESS PLANOGRAPHIC ORIGINAL FORM PLATE TORAY INDUSTRIES, INC. (JP) 1997-10-22 EP disclosed
EP-0678785-A1 DRY LITHOGRAPHIC FORME TORAY INDUSTRIES, INC. (JP) 1995-10-25 EP disclosed