SCHEMBL8027013

SCHEMBL8027013

N#CCN(CC#N)C(C#N)CCCC(C#N)N(CC#N)CC#N

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 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
SCHEMBL8773721 0.83 TSHR (0.38)
SCHEMBL9762839 0.75 CYP1A2 (0.31) CYP1A2MAPK1
SCHEMBL6544383 0.75 CYP1A2 (0.36) CYP1A2MAPK1
SCHEMBL6545398 0.71 CYP1A2 (0.43) CYP1A2MAPK1
SCHEMBL9112262 0.68
SCHEMBL8435513 0.66 CYP1A2 (0.33) CYP1A2MAPK1
SCHEMBL16580145 0.63 CYP1A2 (0.44) CYP1A2MAPK1
SCHEMBL1582129 0.63 CYP1A2 (0.44) CYP1A2MAPK1
SCHEMBL12703835 0.61 CYP1A2 (0.48) CYP1A2MAPK1
SCHEMBL23388971 0.60 TSHR (0.42)

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-0976818-A1 Use of glycin-N,N-diacetic acid derivatives as biodegradable complexing agents for alkaline earth and heavy metal ions, in compact powder-, ultra compact powder- and liquid-detergentcompositions BASF AKTIENGESELLSCHAFT (DE) 2000-02-02 EP disclosed
EP-0846753-A1 Use of Alanine-N,N-diacetic acid and salts as biodegradable complexing agents as alkaline earth and heavy metal ions in alkali detergent compositions and washing process in drinking and foodstuff industrie BASF AKTIENGESELLSCHAFT (DE) 1998-06-10 EP disclosed
EP-0781762-A1 Process for preparing glycine-N,N-diacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 1997-07-02 EP disclosed