SCHEMBL3900902

SCHEMBL3900902

C=C(C)C(=O)OCCCCC.C=CCOC(=O)C=C

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.66
HPGD P15428 1/20 0.56
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 2/20 0.42
HCAR2 Q8TDS4 2/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.38
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX1 P07099 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
SCHEMBL3854884 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL10457292 0.93 TSHR (0.63) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8212857 0.92 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17600586 0.91 TSHR (0.74) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL15130313 0.91 TSHR (0.74) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL1952425 0.90 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL9788553 0.89 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL8425793 0.89 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL6887082 0.89 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL9361594 0.89 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4THRB

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-20150119510-A1 INKJET INK CONTAINING POLYSTYREN COPOLYMER LATEX SUITABLE FOR INDIRECT PRINTING XEROX CORPORATION (US) 2015-04-30 US claimed
US-7579128-B2 Toner compositions including styrene containing external additives XEROX CORPORATION (US) 2009-08-25 US claimed
US-20080241724-A1 TONER COMPOSITIONS INCLUDING STYRENE CONTAINING EXTERNAL ADDITIVES XEROX CORPORATION (US) 2008-10-02 US claimed
CN-113376980-B Titanium dioxide-free toner additive formulation with crosslinked organic polymer additive 施乐公司 2023-12-05 CN disclosed
CN-116804836-A Toner containing charge control agent 施乐公司 2023-09-26 CN disclosed
CN-116774542-A Toner containing charge control agent 施乐公司 2023-09-19 CN disclosed
CN-116774541-A Toner comprising reactive charge control agent 施乐公司 2023-09-19 CN disclosed
CN-108153121-B Metal toner comprising metal integrated particles 施乐公司 2023-06-20 CN disclosed
CN-107526256-B Toner compositions with anti-plasticizers 施乐公司 2023-04-07 CN disclosed
CN-115677911-A Organic additives and compositions containing organic additives 施乐公司 2023-02-03 CN disclosed
CN-107526259-B Toner compositions comprising crystalline polyesters and waxes 施乐公司 2023-01-10 CN disclosed
CN-102414215-A Structured organic films having an added functionality XEROX CORP 2012-04-11 CN disclosed
CN-102413948-A Electronic devices comprising structured organic films (SOF) XEROX CORP 2012-04-11 CN disclosed
CN-101075065-B Electrophoresis display medium, component and method for using the same component to display image XEROX CORP 2012-03-21 CN disclosed
CN-102341186-A Electronic devices comprising structured organic films XEROX CORP 2012-02-01 CN disclosed
CN-102341187-A Process for preparing structured organic films (SOFs) via a pre-sof XEROX CORP 2012-02-01 CN disclosed
CN-1952793-B High gloss emulsion aggregation toner incorporating aluminized silica as a coagulating agent XEROX CORP 2012-01-04 CN disclosed
US-7579128-B2 Toner compositions including styrene containing external additives XEROX CORPORATION (US) 2009-08-25 US disclosed
US-20080241724-A1 TONER COMPOSITIONS INCLUDING STYRENE CONTAINING EXTERNAL ADDITIVES XEROX CORPORATION (US) 2008-10-02 US disclosed
US-20060269858-A1 Toner compositions including styrene containing external additives XEROX CORPORATION (US) 2006-11-30 US disclosed