Toluene

Toluene

SCHEMBL5205324

COc1ccc(C)cc1.Cc1ccccc1

nearest known ligand 0.79

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.79
CA4 P22748 1/20 0.65
LTA4H P09960 2/20 0.61
RELA Q04206 2/20 0.60
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TRPA1 O75762 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KIF11 P52732 2/20 0.49

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
Benzene SCHEMBL11242974 0.95 ACHE (0.88) ACHECA4LTA4HRELALMNA
Anisole SCHEMBL9794543 0.92 CA4 (0.78) ACHECA4LTA4HRELALMNA
SCHEMBL19182839 0.89 ACHE (1.00) ACHECA4LTA4HRELALMNA
SCHEMBL12464 0.89
SCHEMBL13925529 0.89
Toluene SCHEMBL28888209 0.86 TDP1 (0.70) ACHECA4LTA4HRELALMNA
Mequinol SCHEMBL28799186 0.86 LTA4H (0.61) ACHECA4LTA4HLMNATSHR
SCHEMBL7076971 0.86 ACHE (0.94) ACHECA4RELALMNACA12
Methoxymethane SCHEMBL20136157 0.86 ACHE (0.94) ACHECA4RELALMNACA12
Ammonia Solution, Strong SCHEMBL21437378 0.86 ACHE (0.94) ACHECA4RELALMNACA12

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661207-B High-molecular compound and the light-emitting component for using it 住友化学株式会社 2019-10-15 CN disclosed
CN-107534089-B Light-emitting element and composition used in the same 住友化学株式会社 2019-06-14 CN disclosed
CN-106471007-B Metal complex and the light-emitting component for having used it 住友化学株式会社 2019-05-28 CN disclosed
CN-106415872-B Light-emitting component 住友化学株式会社 2019-05-28 CN disclosed
CN-109791990-A Light emitting device and composition useful for manufacturing the same 住友化学株式会社 2019-05-21 CN disclosed
CN-109791991-A Light emitting element 住友化学株式会社 2019-05-21 CN disclosed
CN-106463635-B Light emitting element 住友化学株式会社 2019-05-14 CN disclosed
CN-106715520-B Polymer compound and light-emitting element using same 住友化学株式会社 2019-05-14 CN disclosed
CN-106103459-B Metal complex and the light-emitting component for having used the metal complex 住友化学株式会社 2019-03-29 CN disclosed
CN-107078223-B Light-emitting component 住友化学株式会社 2019-03-29 CN disclosed
CN-106661207-A Polymeric compound and light-emitting element using same 住友化学株式会社 2017-05-10 CN disclosed
CN-106471007-A Metal complex and the light-emitting component employing it 住友化学株式会社 2017-03-01 CN disclosed
CN-106463638-A Electroluminescent device 住友化学株式会社 2017-02-22 CN disclosed
CN-106463635-A Light emitting element 住友化学株式会社 2017-02-22 CN disclosed
CN-106415872-A Light-emitting element 住友化学株式会社 2017-02-15 CN disclosed
CN-106133938-A Light-emitting component and the compositions for this light-emitting component 住友化学株式会社 2016-11-16 CN disclosed
CN-106103537-A Macromolecular compound and use the light-emitting component of this macromolecular compound 住友化学株式会社 2016-11-09 CN disclosed
CN-106103459-A Metal complex and the light-emitting component employing this metal complex 住友化学株式会社 2016-11-09 CN disclosed
EP-1632559-B1 Household products, including inside air-care products. TAKASAGO PERFUMERY CO LTD (JP) 2007-08-22 EP disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed