SCHEMBL541121

SCHEMBL541121

CCC(C(=O)O)=C(C#N)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
FFAR3 O14843 1/20 0.31

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
SCHEMBL11051243 0.73 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL18730440 0.73 FFAR3 (0.36) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL1275702 0.71 TSHR (0.32) GRIK1GRIA4GRIK3GRIK5
SCHEMBL4475756 0.71 TP53 (0.31) GRIK1GRIA4GRIK3GRIK5
SCHEMBL1275715 0.71 ALDH1A1 (0.40)
SCHEMBL3516778 0.69 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL10193601 0.69 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL3516773 0.69 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL101165 0.68 FFAR3 (0.53) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL21342603 0.68 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153743-B2 Controlled exotherm of cyanoacrylate formulations CLOSURE MEDICAL CORPORATION (US) 2012-04-10 US disclosed
EP-2413943-A1 CONTROLLED EXOTHERM OF CYANOACRYLATE FORMULATIONS Ethicon, Inc (US) 2012-02-08 EP disclosed
EP-2307515-A2 CONTROLLED EXOTHERM OF CYANOACRYLATE FORMULATIONS Ethicon, Inc. (US) 2011-04-13 EP disclosed
WO-2010114779-A1 CONTROLLED EXOTHERM OF CYANOACRYLATE FORMULATIONS ETHICON, INC. (US) 2010-10-07 WO disclosed
US-20100249698-A1 CONTROLLED EXOTHERM OF CYANOACRYLATE FORMULATIONS ETHICON, INC. 2010-09-30 US disclosed
US-20100030258-A1 Controlled Exotherm of Cyanoacrylate Formulations ETHICON, INC. 2010-02-04 US disclosed
WO-2010014641-A2 CONTROLLED EXOTHERM OF CYANOACRYLATE FORMULATIONS CLOSURE MEDICAL CORPORATION (US) 2010-02-04 WO disclosed