Toluene

Toluene

SCHEMBL14675705

C1CCOC1.CCOCC.Cc1ccccc1

nearest known ligand 0.42

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
ICMT O60725 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2A13 Q16696 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32

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 SCHEMBL11181513 0.85 ALDH1A1 (0.42) TSHRALDH1A1KDM4EHTT
Toluene SCHEMBL27542416 0.85 LMNA (0.58) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL9640890 0.85 LMNA (0.58) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL9640920 0.85 LMNA (0.58) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL190031 0.85 LMNA (0.58) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL7754119 0.83 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL10611917 0.83 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL7754116 0.83 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL27620801 0.83 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL5070511 0.83 LMNA (0.55) LMNATSHRALOX12ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140225094-A1 DIRECT DETECTORS FOR IONIZING RADIATIONS, AND METHODS FOR PRODUCING SUCH DETECTORS ELETTRA-SINCROTRONE TRIESTE S.C.P.A. (IT) 2014-08-14 US claimed
EP-2739992-B1 DIRECT DETECTORS FOR IONIZING RADIATIONS, AND METHODS FOR PRODUCING SUCH DETECTORS UNIV BOLOGNA ALMA MATER (IT) 2015-10-14 EP disclosed
US-20140225094-A1 DIRECT DETECTORS FOR IONIZING RADIATIONS, AND METHODS FOR PRODUCING SUCH DETECTORS ELETTRA-SINCROTRONE TRIESTE S.C.P.A. (IT) 2014-08-14 US disclosed
EP-2739992-A1 DIRECT DETECTORS FOR IONIZING RADIATIONS, AND METHODS FOR PRODUCING SUCH DETECTORS Alma Mater Studiorum -Universita' di Bologna (IT) 2014-06-11 EP disclosed
WO-2013017915-A1 DIRECT DETECTORS FOR IONIZING RADIATIONS, AND METHODS FOR PRODUCING SUCH DETECTORS ALMA MATER STUDIORUM UNIVERSITA DI BOLOGNA (IT) 2013-02-07 WO disclosed