Toluene

Toluene

SCHEMBL9422293

Cc1ccc(CCCCO)cc1CCCCO.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
IGF1R P08069 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ACHE P22303 2/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
LTB4R Q15722 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
Toluene SCHEMBL4286321 0.85 TDP1 (0.45) IGF1RALOX15CYP4F2CYP4A11ACHE
Toluene SCHEMBL2566595 0.85 TDP1 (0.45) IGF1RALOX15CYP4F2CYP4A11ACHE
Toluene SCHEMBL7558595 0.85 TDP1 (0.45) IGF1RALOX15CYP4F2CYP4A11ACHE
Toluene SCHEMBL3501801 0.85 TDP1 (0.45) IGF1RALOX15CYP4F2CYP4A11ACHE
SCHEMBL11639232 0.85 BCHE (0.45) BCHEIGF1RALOX15CYP4F2CYP4A11
Toluene SCHEMBL15639860 0.84 GPR3 (0.49)
Toluene SCHEMBL2493000 0.84 GPR3 (0.49)
Toluene SCHEMBL5182600 0.84 GPR3 (0.49)
Toluene SCHEMBL9250593 0.84 GPR3 (0.49)
Toluene SCHEMBL11203923 0.84 BCHE (0.42) BCHEIGF1RALOX15CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305060-B1 Polymer non-aqueous dispersion, process for preparing the same and coating composition formulated therewith NIPPON OILS & FATS CO LTD (JP) 1994-07-27 EP disclosed
US-5093390-A Automobile paints NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-03-03 US disclosed
US-4963601-A Polymer non-aqueous dispersion, process for preparing the same and coating composition formulated therewith NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1990-10-16 US disclosed
EP-0305060-A2 Polymer non-aqueous dispersion, process for preparing the same and coating composition formulated therewith NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed