Toluene

Toluene

SCHEMBL7459103

Cc1ccccc1.N#CS.N#CS

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
ACHE P22303 4/20 0.65
LMNA P02545 1/20 0.65
ALOX12 P18054 1/20 0.65
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
HPGD P15428 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
NPSR1 Q6W5P4 2/20 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 SCHEMBL28183150 1.00 TSHR (0.65) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL5354973 0.97 TSHR (0.61) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL27260968 0.85 ACHE (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL355333 0.85 TSHR (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL6372716 0.85 TSHR (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL17498723 0.85 TSHR (0.69) TSHRACHELMNAALOX12ALDH1A1
Thiocyanic Acid SCHEMBL32679422 0.85 RAB9A (0.52) TSHRACHELMNAALOX12ALDH1A1
P-Xylene SCHEMBL10339754 0.84 ALDH1A1 (0.58) TSHRACHELMNAALOX12ALDH1A1
P-Xylene SCHEMBL10339755 0.84 ALDH1A1 (0.58) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL3319586 0.84 ACHE (0.92) TSHRACHELMNAALOX12ALDH1A1

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-6492483-B1 PROCESS COMPRISES PASSING CONTINUOUSLY (I) A LIQUID EPOXY RESIN HAVING A FIRST MOLECULAR WEIGHT, (II) A CATALYST AND (III) A COMPOUND HAVING AT LEAST ONE ACTIVE HYDROGEN OR REACTIVE FUNCTIONAL GROUP CAPABLE OF REACTING WITH THE LIQUID RESOLUTION PERFORMANCE PRODUCTS LLC 2002-12-10 US disclosed
WO-2001046287-A1 INTEGRATED CONTINUOUS PROCESS FOR UPSTAGING EPOXY RESINS RESOLUTION RESEARCH NEDERLAND B.V. (NL) 2001-06-28 WO disclosed
WO-2001016204-A1 PROCESS FOR UPSTAGING EPOXY RESINS RESOLUTION RESEARCH NEDERLAND B.V. (NL) 2001-03-08 WO disclosed
US-4612156-A Solventless process for producing resinous materials THE DOW CHEMICAL COMPANY (US) 1986-09-16 US disclosed
EP-0193809-A2 Solventless process for producing resinous materials THE DOW CHEMICAL COMPANY (US) 1986-09-10 EP disclosed