SCHEMBL3224992

SCHEMBL3224992

C=CCN1C=CN(CCCN)C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL87312 0.82 CYP3A4 (0.32)
SCHEMBL1931519 0.82 TSHR (0.33)
Hydrochloric Acid SCHEMBL3803544 0.81 TSHR (0.32)
SCHEMBL1680335 0.81 TSHR (0.34)
Bromide SCHEMBL3791306 0.81 TSHR (0.32)
Hydrochloric Acid SCHEMBL572769 0.80 CYP3A4 (0.31)
Bromide SCHEMBL1045354 0.80 CYP3A4 (0.31)
Iodide SCHEMBL2341578 0.80 CYP3A4 (0.31)
SCHEMBL4358564 0.79 TSHR (0.38)
SCHEMBL2693560 0.79 TSHR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059626-B1 SOLID PRECURSOR-BASED DELIVERY OF FLUID UTILIZING CONTROLLED SOLIDS MORPHOLOGY ENTEGRIS INC (US) 2018-10-17 EP disclosed
EP-1647761-B1 LIQUID MEDIA CONTAINING LEWIS BASIC REACTIVE COMPOUNDS FOR STORAGE AND DELIVERY OF LEWIS ACIDIC GASES AIR PROD & CHEM (US) 2015-11-18 EP disclosed
US-20140329025-A1 SOLID PRECURSOR-BASED DELIVERY OF FLUID UTILIZING CONTROLLED SOLIDS MORPHOLOGY ENTEGRIS, INC. 2014-11-06 US disclosed
US-8821640-B2 Solid precursor-based delivery of fluid utilizing controlled solids morphology ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2014-09-02 US disclosed
US-8202446-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-06-19 US disclosed
US-20100255198-A1 SOLID PRECURSOR-BASED DELIVERY OF FLUID UTILIZING CONTROLLED SOLIDS MORPHOLOGY ADVANCED TECHNOLOGY MATERIALS, INC. (US) 2010-10-07 US disclosed
US-20090272938-A1 Ionic Liquid Based Mixtures For Gas Storage and Delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-11-05 US disclosed
US-7563308-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-07-21 US disclosed
US-7404845-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-07-29 US disclosed
EP-1911724-A2 Reactive liquid based gas storage and delivery systems AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-04-16 EP disclosed
US-7172646-B2 Reactive liquid based gas storage and delivery systems AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-02-06 US disclosed
US-20060081482-A1 Liquid media containing Lewis basic reactive compounds for storage and delivery of Lewis acidic gases VERSUM MATERIALS US, LLC 2006-04-20 US disclosed
EP-1647761-A1 Liquid media containing lewis basic reactive compounds for storage and delivery of lewis acidic gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-04-19 EP disclosed
EP-1640654-A1 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-29 EP disclosed
US-20060060817-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed
US-20060060818-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US disclosed
EP-1607674-A1 Liquid media containing lewis acidic reactive compounds for storage and delivery of lewis basis gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-12-21 EP disclosed
US-20050276733-A1 Liquid media containing Lewis acidic reactive compounds for storage and delivery of Lewis basic gases VERSUM MATERIALS US, LLC 2005-12-15 US disclosed
EP-1486458-A2 Reactive liquid based gas storage and delivery systems AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-12-15 EP disclosed
US-20040206241-A1 Reactive liquid based gas storage and delivery systems VERSUM MATERIALS US, LLC 2004-10-21 US disclosed