Benzene

Benzene

SCHEMBL3841945

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

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.76
HPGD P15428 1/20 0.76
HCAR2 Q8TDS4 4/20 0.56
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 1/20 0.55
ATM Q13315 1/20 0.53
THRB P10828 4/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
THRA P10827 1/20 0.39
APP P05067 1/20 0.39

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
Acrylic Acid SCHEMBL11329135 0.96 TSHR (0.81) TSHRHPGDHCAR2ALDH1A1CYP3A4
Benzene SCHEMBL3839775 0.96 TSHR (0.81) TSHRHPGDHCAR2ALDH1A1CYP3A4
Benzene SCHEMBL25297827 0.93 TSHR (0.88) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid SCHEMBL1033201 0.93 TSHR (0.88) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid SCHEMBL28508000 0.93 TSHR (0.88) TSHRHPGDHCAR2ALDH1A1CYP3A4
Benzene SCHEMBL28232511 0.91 TSHR (0.85) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid SCHEMBL5370100 0.91 TSHR (0.85) TSHRHPGDHCAR2ALDH1A1CYP3A4
Butadiene SCHEMBL34686 0.91 TSHR (0.92) TSHRHPGDHCAR2ALDH1A1CYP3A4
Acrylic Acid SCHEMBL28207176 0.89 TSHR (0.81) TSHRHPGDHCAR2ALDH1A1CYP3A4
Hydrogen Peroxide SCHEMBL28268342 0.89 TSHR (0.96) TSHRHPGDHCAR2ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20040265729-A1 Toner processes XEROX CORPORATION 2004-12-30 US disclosed
US-20040265728-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