Toluene

Toluene

SCHEMBL1978986

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.Cc1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ PIN1 Q13526 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 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 SCHEMBL17027278 0.98 STAT3 (0.43) STAT3STAT1TSHRLMNAALOX12
SCHEMBL28219212 0.89 STAT3 (0.44) STAT3STAT1NPC1RAB9A
Benzene SCHEMBL1525265 0.88 STAT3 (0.47) STAT3STAT1NPC1RAB9AMAPT
Naphthalene SCHEMBL27567972 0.86 STAT3 (0.47) STAT3STAT1LMNAALOX12ACHE
Benzene SCHEMBL27842146 0.86 STAT3 (0.46) STAT3STAT1
Benzene SCHEMBL28013127 0.86 STAT3 (0.46) STAT3STAT1
Benzene SCHEMBL27320600 0.86 STAT3 (0.46) STAT3STAT1
Benzene SCHEMBL28100973 0.86 STAT3 (0.46) STAT3STAT1
Biphenyl SCHEMBL226834 0.84 STAT3 (0.54) STAT3STAT1NPC1RAB9AMAPT
Triphenylene SCHEMBL28121394 0.84 STAT3 (0.46) STAT3STAT1LMNAACHENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3111209-B1 PRINTED GAS SENSOR AND DIGITAL EXPIRY DATE THEREOF INNOSCENTIA AB (SE) 2021-08-18 — — EP disclosed
CN-105980849-B Digital due date device systems 英诺斯森提亚公司 2019-09-20 — — CN disclosed
US-10386347-B2 Printed gas sensor and digital expiry date thereof INNOSCENTIA AB (SE) 2019-08-20 — — US disclosed
CN-104557948-B Method for preparing monodispersed porphyrin molecule particles by water droplet templating method 中国科学院化学研究所 2017-04-12 — — CN disclosed
US-20170052160-A1 PRINTED GAS SENSOR AND DIGITAL EXPIRY DATE THEREOF INNOSCENTIA AB (SE) 2017-02-23 — — US disclosed
EP-3111209-A1 PRINTED GAS SENSOR AND DIGITAL EXPIRY DATE THEREOF Innoscentia AB (SE) 2017-01-04 — — EP disclosed
CN-105980849-A Printed gas sensor and digital expiry date thereof 英诺斯森提亚公司 2016-09-28 — — CN disclosed
WO-2015126306-A1 PRINTED GAS SENSOR AND DIGITAL EXPIRY DATE THEREOF INNOSCENTIA AB (SE) 2015-08-27 — — WO disclosed
US-20150027849-A1 METHODS AND SYSTEMS TO REMOVE POLAR MOLECULES FROM REFINERY STREAMS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2015-01-29 — — US disclosed
US-8852427-B2 Method and systems to remove polar molecules from refinery streams EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-10-07 — — US disclosed
EP-2513257-A2 METHODS AND SYSTEMS TO REMOVE POLAR MOLECULES FROM REFINERY STREAMS ExxonMobil Research and Engineering Company (US) 2012-10-24 — — EP disclosed
WO-2011075325-A2 METHODS AND SYSTEMS TO REMOVE POLAR MOLECULES FROM REFINERY STREAMS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-06-23 — — WO disclosed
US-20110139687-A1 METHOD AND SYSTEMS TO REMOVE POLAR MOLECULES FROM REFINERY STREAMS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-06-16 — — US disclosed
EP-1560833-B1 PREPARATION OF CODEINE FROM MORPHINE MALLINCKRODT INTERNAT CORP (US) 2007-03-14 — — EP disclosed
EP-1560833-A2 PREPARATION OF CODEINE FROM MORPHINE Mallinckrodt International Corporation (US) 2005-08-10 — — EP disclosed
WO-2004037826-A2 PREPARATION OF CODEINE FROM MORPHINE MALLINCKRODT INC. (US) 2004-05-06 — — WO disclosed
US-6579985-B1 Preparation of codeine from morphine MALLINCKRODT INC. 2003-06-17 — — US disclosed
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