Toluene

Toluene

SCHEMBL11029161

Cc1cccc(C)c1O.Cc1ccccc1

nearest known ligand 0.74

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
ACHE P22303 4/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
TRPA1 O75762 2/20 0.56
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX5 P09917 3/20 0.45
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
TTR P02766 1/20 0.45

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
SCHEMBL11575272 0.86 ALDH1A1 (1.00) ALDH1A1ACHETSHRLMNATRPA1
SCHEMBL64141 0.86
SCHEMBL2500374 0.86 ALDH1A1 (1.00) ALDH1A1ACHETSHRLMNATRPA1
Phenol SCHEMBL8154763 0.84 ALDH1A1 (0.74) ALDH1A1ACHETSHRLMNATRPA1
Phenol SCHEMBL541839 0.84 ALDH1A1 (0.74) ALDH1A1ACHETSHRLMNATRPA1
SCHEMBL2158883 0.83 ALDH1A1 (0.93) ALDH1A1ACHETSHRLMNATRPA1
Hydrochloric Acid SCHEMBL7078680 0.83 ALDH1A1 (0.93) ALDH1A1ACHETSHRLMNATRPA1
SCHEMBL10895566 0.83 ALDH1A1 (0.93) ALDH1A1ACHETSHRLMNATRPA1
Bromide SCHEMBL30923434 0.83 ALDH1A1 (0.93) ALDH1A1ACHETSHRLMNATRPA1
SCHEMBL11411128 0.83 ALDH1A1 (0.93) ALDH1A1ACHETSHRLMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698591-B Preparation method of low-molecular-weight hydroxyl-terminated polyphenyl ether by one-pot method 陕西硕博电子材料有限公司 2022-07-19 CN disclosed
CN-113698591-A Preparation method of low-molecular-weight hydroxyl-terminated polyphenyl ether by one-pot method 陕西硕博电子材料有限公司 2021-11-26 CN disclosed
EP-0107653-A4 PROCESS FOR THE POLYMERIZATION OF PHENOLS AT LOW OXYGEN FLOW RATES. GEN ELECTRIC (US) 1984-09-13 EP disclosed
EP-0107653-A1 PROCESS FOR THE POLYMERIZATION OF PHENOLS AT LOW OXYGEN FLOW RATES GENERAL ELECTRIC COMPANY (US) 1984-05-09 EP disclosed
WO-1983003833-A1 PROCESS FOR THE POLYMERIZATION OF PHENOLS AT LOW OXYGEN FLOW RATES GENERAL ELECTRIC COMPANY (US) 1983-11-10 WO disclosed
US-4129555-A IMPROVED IMPACT STRENGTH GENERAL ELECTRIC COMPANY (US) 1978-12-12 US disclosed
US-4098846-A IMPACT STRENGTH GENERAL ELECTRIC COMPANY (US) 1978-07-04 US disclosed
US-4097462-A OXIDATIVE COUPLING OF A PHENOL, PRECIPITATION, MANGANESE (II) HYDROXYOXIME CHELATE CATALYST GENERAL ELECTRIC COMPANY (US) 1978-06-27 US disclosed
US-4054553-A MANGANESE COMPLEX CATALYST GENERAL ELECTRIC COMPANY (US) 1977-10-18 US disclosed
US-3972851-A Preparation of polyphenylene oxide using a manganese(II) ortho-hydroxyarene-oxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-08-03 US disclosed
US-3965069-A Polyphenylene oxide is prepared using a mixture of manganese chelates as a catalyst GENERAL ELECTRIC COMPANY (US) 1976-06-22 US disclosed
US-3956242-A Preparation of polyphenylene oxide using a manganese (II) ω-hydroxyoxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-05-11 US disclosed