Toluene

Toluene

SCHEMBL2286883

Cc1ccccc1.Cc1ccccc1.Fc1c(F)c(F)c([Ni])c(F)c1F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NFE2L2 Q16236 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA4 P22748 1/20 0.31
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
Toluene SCHEMBL28263564 0.79 ACHE (0.61) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL28036751 0.78
Toluene SCHEMBL5622875 0.75 ACHE (0.55) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL28125467 0.74
Toluene SCHEMBL175861 0.74 ACHE (1.00) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL4429042 0.74 ACHE (1.00) ACHETSHRLMNAALOX12HPGD
SCHEMBL12344964 0.74 ACHE (1.00) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL8938900 0.74 ACHE (1.00) ACHETSHRLMNAALOX12HPGD
Toluene SCHEMBL1 0.74
Toluene SCHEMBL8433895 0.74 ACHE (1.00) ACHETSHRLMNAALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477215-A2 Resin composition, embedding material, insulating layer and semiconductor device Sumitomo Bakelite Company Limited (JP) 2012-07-18 EP disclosed
US-7999354-B2 Resin composition, filling material, insulating layer and semiconductor device SUMITOMO BAKELITE COMPANY, LTD. (JP) 2011-08-16 US disclosed
US-20100181684-A1 RESIN COMPOSITION, FILLING MATERIAL, INSULATING LAYER AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE COMPANY LIMITED (JP) 2010-07-22 US disclosed
EP-2166036-A1 RESIN COMPOSITION, EMBEDDING MATERIAL, INSULATING LAYER, AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Company Limited (JP) 2010-03-24 EP disclosed
US-20090008682-A1 Light-Receiving Device SUMITOMO BAKELITE CO., LTD. (JP) 2009-01-08 US disclosed
EP-1804296-B1 LIGHT-RECEIVING DEVICE SUMITOMO BAKELITE CO (JP) 2008-10-01 EP disclosed
EP-1804296-A1 LIGHT-RECEIVING DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2007-07-04 EP disclosed