Toluene

Toluene

SCHEMBL567896

CC1(S)OC(=O)COC1=O.Cc1ccccc1

nearest known ligand 0.35

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL9304191 0.73 HCAR3 (0.44) HSD11B1ALDH1A1HTT
SCHEMBL531260 0.64 LMNA (0.31) LMNA
Toluene SCHEMBL11325304 0.63 LMNA (0.69) LMNATSHRALOX12ACHEHTT
Toluene SCHEMBL28200424 0.63 TSHR (0.52) LMNATSHRALOX12ACHEHSD11B1
Toluene SCHEMBL6404501 0.63 LMNA (0.52) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL1573659 0.61 LMNA (0.65) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL27330916 0.61 ACHE (0.65) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL4458162 0.61 LMNA (0.65) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL10611921 0.61 LMNA (0.65) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL10900065 0.61 LMNA (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed
WO-2010100390-A1 CATALYTIC POLYMERIZATION METHOD FOR 1,4-DIOXANE-2,5-DIONES, AND CORRESPONDING POLYMERS MINASOLVE (FR) 2010-09-10 WO disclosed