Toluene

Toluene

SCHEMBL1609296

CCOC(C)=O.CO.Cc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX12 P18054 1/20 0.46
ACHE P22303 1/20 0.46
PIN1 Q13526 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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 SCHEMBL27492562 0.98 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL10467735 0.98 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL27491226 0.98 ALDH1A1 (0.56) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1405615 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL14353557 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8533815 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL15348475 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6453722 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL510161 0.98 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116953144-A Thin-layer chromatography identification method of Dan-zedoary Fukang decoction 云南圣科药业有限公司 2023-10-27 CN claimed
CN-116429962-A Thin-layer identification chromatography method for feather cockscomb seed and fried feather cockscomb seed formula particles 四川新绿色药业科技发展有限公司 2023-07-14 CN claimed
US-20230181666-A1 TRADITIONAL CHINESE MEDICINE COMPOSITION FOR TREATING NOVEL CORONAVIRUS PNEUMONIA, PREPARATION METHOD, DETECTION METHOD, AND USE THEREOF BEIJING HANDIAN PHARMACEUTICAL CO., LTD. (CN) 2023-06-15 US claimed
EP-4147708-A1 TRADITIONAL CHINESE MEDICINE COMPOSITION FOR TREATING NOVEL CORONAVIRUS PNEUMONIA, PREPARATION METHOD, DETECTION METHOD, AND USE THEREOF Beijing Handian Pharmaceutical Co., Ltd. (CN) 2023-03-15 EP claimed
CN-112274620-A Traditional Chinese medicine composition for treating novel coronavirus pneumonia, preparation method, detection method and application thereof 北京汉典制药有限公司 2021-01-29 CN claimed
CN-111407877-A Traditional Chinese medicine composition for treating novel coronavirus pneumonia, preparation method, detection method and application thereof 北京汉典制药有限公司 2020-07-14 CN claimed
CN-106093269-A A kind of quality determining method of Kuiyang Capsules 江苏七O七天然制药有限公司 2016-11-09 CN claimed
CN-104165962-B The quality determining method of WEINAIAN sheet GUANGZHOU BAIYUNSHAN ZHONGYI PHARMACEUTICAL CO., LTD. (CN) 2016-03-16 CN claimed
CN-103675188-B Thin-layer chromatography detection method for pharmaceutical composition CHENGDU KANGHONG PHARMACEUTICAL GROUP CO LTD 2015-06-17 CN claimed
CN-103675188-A Thin-layer chromatography detection method for pharmaceutical composition CHENGDU KANGHONG PHARMACEUTICAL GROUP CO LTD 2014-03-26 CN claimed
CN-102279242-A Method for testing Chinese medicine preparation with functions of warming kidney and regulating menstruation 2011-12-14 CN claimed
CN-101897886-A Quality control method of trichogenous gel BEIJING INCREASE PHARM CO LTD 2010-12-01 CN claimed
CN-101874845-A Quality control method for Chinese medicinal preparation for treating urinary infection GUIYANG CHUNKE PHARMACEUTICAL TECHNOLOGY R & D CO LTD 2010-11-03 CN claimed
CN-101632804-A Quality control method for wind-dispelling heat-dissipating capsules BEIJING ASIA EAST BIO PHARM CO 2010-01-27 CN claimed
CN-101274036-A Method for testing quality criteria of conghuang preparation for tonifying kidney MASSON GROUP CO LTD (CN) 2008-10-01 CN claimed
CN-101264125-A Natural medicine oral preparation for treating dropsy TIANJIN DANXI INST (CN) 2008-09-17 CN claimed
CN-101264124-A Natural medicine colonic capsules for treating hemorrhoidal disease TIANJIN DANXI INST (CN) 2008-09-17 CN claimed
CN-101264123-A Natural medicine dropping pills for treating hemorrhoidal disease TIANJIN DANXI INST (CN) 2008-09-17 CN claimed
CN-1923263-A Traditional Chinese medicine composition, its preparing method and quality controlling means WU YIFANG (CN) 2007-03-07 CN claimed
CN-1868534-A Medicine composition, its prepn. method, quality control method WU YIFANG (CN) 2006-11-29 CN claimed