Toluene

Toluene

SCHEMBL27703076

CC[SiH3].Cc1ccccc1

nearest known ligand 0.69

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.69
▸ LMNA P02545 3/20 0.69
▸ TSHR P16473 3/20 0.69
▸ ALOX12 P18054 1/20 0.69
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PSIP1 O75475 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35

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 SCHEMBL27571632 0.97 ACHE (0.65) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL6697996 0.87 ACHE (0.79) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL10458549 0.84 ACHE (0.73) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL991792 0.84 ACHE (0.73) ACHELMNATSHRALOX12TP53
Toluene SCHEMBL27843571 0.83 — —
Toluene SCHEMBL1 0.83 — —
Toluene SCHEMBL11213676 0.83 ACHE (1.00) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL175861 0.83 ACHE (1.00) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL8433895 0.83 ACHE (1.00) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL5665166 0.83 ACHE (1.00) ACHELMNATSHRALOX12HPGD

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
CN-205474019-U Novel ion membrane electrolytic cell 江阴米尔克电解设备有限公司 2016-08-17 — — CN claimed
CN-205474019-U Novel ion membrane electrolytic cell 江阴米尔克电解设备有限公司 2016-08-17 — — CN disclosed
CN-103154095-A Cyclosiloxane-substituted polysiloxane compounds, compositions containing the same, and methods of use thereof BIOFILM IP LLC 2013-06-12 — — CN disclosed
CN-101394747-B Water-stabilised antimicrobial organosilane products, compositions, and methods for using the same VITEC SPECIALITY CHEMICALS LTD 2013-04-24 — — CN disclosed
CN-101184669-B Apparatus for manufacturing gas barrier plastic container, method for manufacturing the container, and the container KIRIN BEER KABUSHIKI KAISHA KIRIN BREWERY COMPANY LTD 2012-06-06 — — CN disclosed
CN-101394747-A Water-stabilised antimicrobial organosilane products, compositions, and methods for using the same VITEC SPECIALITY CHEMICALS LTD (GB) 2009-03-25 — — CN disclosed
CN-101184669-A Apparatus for manufacturing gas barrier plastic container, method for manufacturing the container, and the container KIRIN BREWERY (JP) 2008-05-21 — — CN disclosed
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