Toluene

Toluene

SCHEMBL7180595

Cc1ccccc1.c1cc[nH]c1

nearest known ligand 0.65

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.65
LMNA P02545 3/20 0.65
TSHR P16473 2/20 0.65
ALOX12 P18054 1/20 0.65
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KIF11 P52732 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 SCHEMBL27729481 0.97 ACHE (0.61) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL27595426 0.97 ACHE (0.61) ACHELMNATSHRALOX12HPGD
SCHEMBL806588 0.95 ACHE (0.58) ACHELMNATSHRALOX12HPGD
SCHEMBL806578 0.94 ACHE (0.56) ACHELMNATSHRALOX12HPGD
P-Xylene SCHEMBL27859158 0.88 ACHE (0.53) ACHELMNATSHRALOX12HPGD
Pyrrole SCHEMBL28367709 0.85 RAB9A (0.47) ACHELMNATSHRALOX12HPGD
SCHEMBL12344964 0.80 ACHE (1.00) ACHELMNATSHRALOX12HPGD
SCHEMBL12344943 0.80 ACHE (1.00) ACHELMNATSHRALOX12HPGD
Toluene SCHEMBL1 0.80
Toluene SCHEMBL4429042 0.80 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108371660-A A kind of new application of tetrahydro cyclopentyl diene simultaneously azole compounds and its derivative 五邑大学 2018-08-07 CN claimed
CN-1479628-A Use of CYP206 inhibitors in combination therapies �Ʒ� 2004-03-03 CN claimed
CN-1469873-A Piperidine compounds useful as antiallergic agents ���鹫˾ 2004-01-21 CN claimed
CN-112941893-A Anti-yellowing agent for preventing fluorescent whitening agent from yellowing and anti-yellowing technology using anti-yellowing agent 御币岛化学株式会社 2021-06-11 CN disclosed
CN-110003100-A A kind of preparation method of fluorine-containing pyridine compounds and their 新乡市锦源化工有限公司 2019-07-12 CN disclosed
CN-108990413-A CELL SURFACE COUPLING OF NANOPARTICLES 麻省理工学院 2018-12-11 CN disclosed
CN-108469316-A Surface grafting conducting polymer and coplanar type electrode pressure sensor and its preparation method 中国科学院苏州纳米技术与纳米仿生研究所 2018-08-31 CN disclosed
CN-102626698-B Residue is removed from substrate processing components 量子全球技术有限公司 2018-08-21 CN disclosed
CN-108371660-A A kind of new application of tetrahydro cyclopentyl diene simultaneously azole compounds and its derivative 五邑大学 2018-08-07 CN disclosed
CN-107875148-A Applications and its pharmaceutical preparation of the Lu Baisita in prevention and treatment pulmonary fibrosis and hepatic sclerosis medicine is prepared 吴殿青 2018-04-06 CN disclosed
CN-105513826-B A kind of preparation method of loose structure pyrroles o-toluidine copolymer 西安科技大学 2017-11-17 CN disclosed
CN-1285823-A Phenyl-alkyl-imidazoles as H3 receptor antagonists SCHERING CORP (US) 2001-02-28 CN disclosed
CN-1285822-A H receptor ligands of phenyl-alkyl-imidazoles type SCHERING CORP (US) 2001-02-28 CN disclosed
CN-1050601-C Preparation and the pharmaceutical compositions which contain them ADIR (FR) 2000-03-22 CN disclosed
CN-1147764-A Sustained-release matrix pill and preparation thereof BASF AG (DE) 1997-04-16 CN disclosed
US-5508348-A FORMING EMULSION HAVING IN CONTINUOUS PHASE NONCONDUCTIVE POLYMER AND SURFACTANT DISSOLVED IN ORGANIC SOLVENT, IN DISPERSED PHASE OXIDANT DISSOLVED IN WATER, ADDING MONOMER DISSOLVED IN SOLVENT TO FORM CONDUCTIVE POLYMER COMPOSITE THE RESEARCH FOUNDATION OF SUNY (US) 1996-04-16 US disclosed
CN-1091411-A The method of enantiomer separation from racemic mixture AKZO NV (NL) 1994-08-31 CN disclosed
CN-1086819-A Novel compounds having 5-hydroxytryptamine receptor antagonistic activity SMITHKLINE BEECHAM PLC (GB) 1994-05-18 CN disclosed
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 CN disclosed
CN-1049100-A Isoxazoline-3-ketone derivatives is as the purposes of antidepressants SANKYO CO (JP) 1991-02-13 CN disclosed