Toluene

Toluene

SCHEMBL27540769

C=CC[AlH2].Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ C5AR1 P21730 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CES2 O00748 1/20 0.33

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 SCHEMBL9479181 0.82 ACHE (0.58) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL28319329 0.80 ACHE (0.55) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11063478 0.80 TSHR (0.55) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL28830923 0.80 TSHR (0.55) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL527814 0.78 ACHE (0.69) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL392682 0.78 ACHE (0.69) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL11513042 0.76 LMNA (0.50) ACHETSHRLMNAALOX12ATM
Allylbenzene SCHEMBL16681675 0.76 CNR2 (0.55) ACHETSHRLMNAALOX12TDP1
Allylbenzene SCHEMBL11425516 0.76 CNR2 (0.55) ACHETSHRLMNAALOX12TDP1
Toluene SCHEMBL9711191 0.76 ACHE (0.65) ACHETSHRLMNAALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106084108-A A kind of method that amidino groups rare earth alkyl compound prepares isoprene rubber 郭云琴 2016-11-09 — — CN claimed
CN-1315573-C Beta-diimide nickel compound/alkyl aluminium catalyst system and its application UNIV JILIN (CN) 2007-05-16 — — CN claimed
CN-1672793-A Beta-diimide nickel compound/alkyl aluminium catalyst system and its application UNIV JILIN (CN) 2005-09-28 — — CN claimed
CN-113522196-B Intelligent monitoring system and intelligent monitoring method for preparation of block copolymer of aromatic hydrocarbon, conjugated diene and epoxide 南京元初科技有限公司 2022-04-26 — — CN disclosed
CN-113522196-A Intelligent monitoring system and intelligent monitoring method for preparation of block copolymer of aromatic hydrocarbon, conjugated diene and epoxide 南京元初科技有限公司 2021-10-22 — — CN disclosed
CN-107057005-A A kind of block copolymer of fragrant alkene, conjugated diene and epoxides and preparation method thereof 刘青 2017-08-18 — — CN disclosed
CN-106084108-A A kind of method that amidino groups rare earth alkyl compound prepares isoprene rubber 郭云琴 2016-11-09 — — CN disclosed
CN-106084108-A A kind of method that amidino groups rare earth alkyl compound prepares isoprene rubber 郭云琴 2016-11-09 — — CN disclosed
CN-1315573-C Beta-diimide nickel compound/alkyl aluminium catalyst system and its application UNIV JILIN (CN) 2007-05-16 — — CN disclosed
CN-1672793-A Beta-diimide nickel compound/alkyl aluminium catalyst system and its application UNIV JILIN (CN) 2005-09-28 — — CN disclosed
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