SCHEMBL4393719

SCHEMBL4393719

C=CCN1C=CN(CCCC#N)C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32

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
Bromide SCHEMBL28977686 0.88 NPSR1 (0.42) NPSR1ALDH1A1
SCHEMBL9942137 0.85 MAPT (0.40) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9901410 0.83 MAPT (0.39) ALDH1A1MAPT
SCHEMBL28841371 0.81 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL3224992 0.78
SCHEMBL87312 0.77 CYP3A4 (0.32)
SCHEMBL1931519 0.77 TSHR (0.33) ALDH1A1
Bromide SCHEMBL3791306 0.75 TSHR (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL3803544 0.75 TSHR (0.32) ALDH1A1
SCHEMBL1680335 0.75 TSHR (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563308-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-07-21 US claimed
EP-1640654-A1 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-29 EP claimed
US-20060060817-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US claimed
US-20060060818-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US claimed
EP-1640654-B1 Ionic liquid based mixtures for gas storage and delivery AIR PROD & CHEM (US) 2016-10-19 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-8603422-B2 Gas separation and recovery apparatus and gas separation and recovery method DENSO CORPORATION (JP) 2013-12-10 US disclosed
US-20120258030-A1 GAS SEPARATION AND RECOVERY APPARATUS AND GAS SEPARATION AND RECOVERY METHOD DENSO CORPORATION (JP) 2012-10-11 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-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
US-7282084-B2 Liquid media containing Lewis basic reactive compounds for storage and delivery of Lewis acidic gases AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-10-16 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