SCHEMBL3674628

SCHEMBL3674628

N#CCCC(N)(CCC#N)CCC#N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL10945547 0.85 LOX (0.43) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL19715266 0.83 TSHR (0.43) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL9184245 0.81 LOX (0.40) LOXLOXL3LOXL2TSHR
SCHEMBL7092424 0.81 LOX (0.40) LOXLOXL3LOXL2TSHR
SCHEMBL3700426 0.80 LOX (0.50) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL25729480 0.78 LOX (0.37) LOXLOXL3LOXL2TSHR
SCHEMBL5172782 0.75
SCHEMBL3840181 0.75
SCHEMBL8730658 0.73 ALDH1A1 (0.37) ALDH1A1TDP1LOXLOXL3LOXL2
SCHEMBL24720886 0.72 ALDH1A1 (0.50) ALDH1A1TDP1LOXLOXL3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230187695-A1 ELECTROLYTE AND ELECTROCHEMICAL APPARATUS USING SAME NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2023-06-15 US disclosed
EP-2099845-B1 MULTI-FUNCTIONAL POLYALKYLENE OXIDES, HYDROGELS AND TISSUE ADHESIVES ACTAMAX SURGICAL MAT LLC (US) 2020-12-23 EP disclosed
EP-2099845-B1 MULTI-FUNCTIONAL POLYALKYLENE OXIDES, HYDROGELS AND TISSUE ADHESIVES ACTAMAX SURGICAL MAT LLC (US) 2020-12-23 EP disclosed
US-8282959-B2 Branched end reactants and polymeric hydrogel tissue adhesives therefrom ACTAMAX SURGICAL MATERIALS, LLC (US) 2012-10-09 US disclosed
US-8282959-B2 Branched end reactants and polymeric hydrogel tissue adhesives therefrom ACTAMAX SURGICAL MATERIALS, LLC (US) 2012-10-09 US disclosed
US-8282959-B2 Branched end reactants and polymeric hydrogel tissue adhesives therefrom ACTAMAX SURGICAL MATERIALS, LLC (US) 2012-10-09 US disclosed
US-20100086678-A1 BRANCHED END REACTANTS AND POLYMERIC HYDROGEL TISSUE ADHESIVES THEREFROM E.I.DUPONT DE NEMOURS AND COMPANY (DE) 2010-04-08 US disclosed
US-20100086678-A1 BRANCHED END REACTANTS AND POLYMERIC HYDROGEL TISSUE ADHESIVES THEREFROM E.I.DUPONT DE NEMOURS AND COMPANY (DE) 2010-04-08 US disclosed
US-20100086678-A1 BRANCHED END REACTANTS AND POLYMERIC HYDROGEL TISSUE ADHESIVES THEREFROM E.I.DUPONT DE NEMOURS AND COMPANY (DE) 2010-04-08 US disclosed
WO-2008066787-A2 MULTI-FUNCTIONAL POLYALKYLENE OXIDES, HYDROGELS AND TISSUE ADHESIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-06-05 WO disclosed