Benzene

Benzene

SCHEMBL3839775

C=CC(=O)OCCCC.C=CC=C.c1ccccc1

nearest known ligand 0.81

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.81
HPGD P15428 1/20 0.81
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 1/20 0.59
ATM Q13315 1/20 0.57
HCAR2 Q8TDS4 3/20 0.55
THRB P10828 5/20 0.49
TP53 P04637 2/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
THRA P10827 1/20 0.41

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
Benzene SCHEMBL3841945 0.96 TSHR (0.76) TSHRHPGDALDH1A1CYP3A4ATM
Benzene SCHEMBL25297827 0.96 TSHR (0.88) TSHRHPGDALDH1A1CYP3A4ATM
Benzene SCHEMBL28232511 0.94 TSHR (0.85) TSHRHPGDALDH1A1CYP3A4ATM
Butadiene SCHEMBL34686 0.94 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
Acrylic Acid SCHEMBL11329135 0.93 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4ATM
Hydrogen Peroxide SCHEMBL28268342 0.92 TSHR (0.96) TSHRHPGDALDH1A1CYP3A4ATM
Bicarbonate SCHEMBL21715368 0.90 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
Bicarbonate SCHEMBL9856842 0.90 TSHR (0.92) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1330627 0.90
SCHEMBL15037 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980975-B2 Magnetic compositions XEROX CORPORATION (US) 2015-03-17 US disclosed
US-20130277429-A1 Magnetic Compositions U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2013-10-24 US disclosed
US-8475985-B2 Magnetic compositions XEROX CORPORATION (US) 2013-07-02 US disclosed
EP-1808733-B1 Toner processes XEROX CORP (US) 2009-11-11 EP disclosed
US-7282314-B2 Toner processes XEROX CORPORATION (US) 2007-10-16 US disclosed
EP-1808733-A1 Toner processes Xerox Corporation (US) 2007-07-18 EP disclosed
US-7214463-B2 Toner processes XEROX CORPORATION (US) 2007-05-08 US disclosed
US-20060246367-A1 Magnetic compositions XEROX CORPORATION 2006-11-02 US disclosed
US-20060172220-A1 Toner processes XEROX CORPORATION 2006-08-03 US disclosed
US-20060166122-A1 Toner processes XEROX CORPORATION 2006-07-27 US disclosed
US-6942954-B2 heating mixture of an acicular magnetite dispersion, colorant, wax, and latex in the presence of coagulant, stabilizing aggregates with silicate salt dissolved in base, then heating to coalesce XEROX CORPORATION (US) 2005-09-13 US disclosed
US-6936396-B2 Toner processes XEROX CORPORATION (US) 2005-08-30 US disclosed
US-20040265728-A1 Toner processes XEROX CORPORATION 2004-12-30 US disclosed
US-20040265729-A1 Toner processes XEROX CORPORATION 2004-12-30 US disclosed
US-20040146797-A1 TONER PROCESSES XEROX CORPORATION 2004-07-29 US disclosed
US-6767684-B1 Toner processes XEROX CORPORATION 2004-07-27 US disclosed