Toluene

Toluene

SCHEMBL28076346

CCCCNC(N)=O.Cc1ccccc1.S

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 5/20 0.51
NAAA Q02083 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
ALB P02768 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX1 P07099 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FBP1 P09467 1/20 0.46
POLB P06746 1/20 0.45
PAX8 Q06710 1/20 0.44

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 SCHEMBL27499889 0.98 TSHR (0.54) TSHRHTTHPGDNAAAL3MBTL1
Toluene SCHEMBL27615145 0.92 NAAA (0.59) TSHRHTTHPGDNAAAL3MBTL1
Toluene SCHEMBL28036643 0.92 NAAA (0.59) TSHRHTTHPGDNAAAL3MBTL1
Benzene SCHEMBL28109469 0.88 HTT (0.50) TSHRHTTHPGDNAAAALDH1A1
Toluene SCHEMBL28333239 0.86 HTT (0.59) TSHRHTTHPGDNAAAL3MBTL1
P-Cresol SCHEMBL27759325 0.85 HPGD (0.54) TSHRHTTHPGDNAAAL3MBTL1
Orthocresol SCHEMBL27787642 0.83 NAAA (0.49) TSHRHTTHPGDNAAAALDH1A1
Hydrogen Sulfide SCHEMBL27785367 0.82
Toluene SCHEMBL30957363 0.81 NAAA (0.62) TSHRHTTHPGDNAAAL3MBTL1
M-Xylene SCHEMBL8398536 0.81 L3MBTL1 (0.53) HTTNAAAL3MBTL1ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109640993-A Comprising amodiaquine and antidiabetic medicine as effective component for preventing or treating the pharmaceutical compositions of diabetes 诺麦塔制药有限公司 2019-04-16 CN claimed
CN-107857823-A The extracting method of Auricularia polysaccharide 金华市艾力生物科技有限公司 2018-03-30 CN claimed
CN-107106873-A ACC inhibitor combined therapies for treating non-alcoholic fatty liver disease 吉利德阿波罗公司 2017-08-29 CN claimed
CN-110514753-A A method of utilizing the illegal additive in polynary multi-dimensional chromatograph finger-print screening hypoglycemic health-care product UNIV GUANGDONG PHARM 2019-11-29 CN disclosed
CN-110494141-A Pharmaceutical composition containing substituted polycyclic Pyridione derivatives and its prodrug SHIONOGI & CO 2019-11-22 CN disclosed
CN-110461337-A Medical composition and its use with bile acid derivative and microorganism group INTERCEPT PHARMACEUTICALS INC 2019-11-15 CN disclosed
CN-110382503-A Process for preparing ACC inhibitors and solid forms thereof 吉利德科学公司 2019-10-25 CN disclosed
CN-110279852-A Stabilized pharmaceutical formulations of insulin analogues and/or insulin derivatives 赛诺菲 2019-09-27 CN disclosed
CN-110072850-A 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2019-07-30 CN disclosed
CN-110072862-A Bicyclic nitrogen-containing heterocyclic derivative and pharmaceutical composition containing the same 盐野义制药株式会社 2019-07-30 CN disclosed
CN-110049757-A Rapidly disintegrating pharmaceutical composition 辉凌公司 2019-07-23 CN disclosed
CN-104640856-B Carbazole-containing sulfonamides as cryptochrome modulators 复位治疗公司 2017-09-15 CN disclosed
CN-102149280-B Deuterated benzylbenzene derivatives and methods of use thereof 泰拉科斯有限公司 2017-05-24 CN disclosed
CN-106458891-A Carbazole-containing amides, carbamates, and ureas as cryptochrome modulators 复位治疗公司 2017-02-22 CN disclosed
CN-105960249-A Stabilized pharmaceutical formulations of insulin analogues and/or insulin derivatives 赛诺菲 2016-09-21 CN disclosed
CN-105899191-A Stabilized glycerol-free pharmaceutical formulations of insulin analogues and/or insulin derivatives 赛诺菲 2016-08-24 CN disclosed
CN-105899190-A Stabilized pharmaceutical formulations of insulin aspart 赛诺菲 2016-08-24 CN disclosed
CN-103338760-B Anti-diabetic therapy for protecting blood vessels and protecting the heart 贝林格尔.英格海姆国际有限公司 2016-08-17 CN disclosed
CN-103781788-B Quinazoline, its preparation and the purposes in pharmaceutical composition thereof being substituted 勃林格殷格翰国际有限公司 2016-08-17 CN disclosed
CN-105753965-A Conjugate Based Systems For Controlled Drug Delivery 斯马特塞尔斯公司 2016-07-13 CN disclosed