SCHEMBL3674627

SCHEMBL3674627

N#CCCNC(NCCC#N)NCCC#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.36
GAA P10253 3/20 0.34
THRB P10828 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.30

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
SCHEMBL297924 0.77
SCHEMBL2227603 0.75 TSHR (0.34) ALDH1A1TDP1TSHRTHRB
Hydrochloric Acid SCHEMBL5595671 0.75
SCHEMBL31424303 0.73 TSHR (0.42) ALDH1A1TDP1TSHRGAATHRB
SCHEMBL5595628 0.73 LMNA (0.42) ALDH1A1TDP1TSHRGAATHRB
SCHEMBL5146789 0.73
SCHEMBL13850664 0.73 TSHR (0.37) ALDH1A1TDP1TSHRGAATHRB
SCHEMBL2225539 0.71 TSHR (0.32) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5595683 0.71 ABCC3 (0.44) ALDH1A1TDP1TSHRGAATHRB
SCHEMBL11197516 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100086678-A1 BRANCHED END REACTANTS AND POLYMERIC HYDROGEL TISSUE ADHESIVES THEREFROM E.I.DUPONT DE NEMOURS AND COMPANY (DE) 2010-04-08 US disclosed