SCHEMBL6544383

SCHEMBL6544383

CC[C@@H](C#N)N(CC#N)CC#N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL2563954 0.79
SCHEMBL6545398 0.76 CYP1A2 (0.43) CYP1A2MAPK1TSHR
SCHEMBL9762839 0.75 CYP1A2 (0.31) CYP1A2MAPK1
SCHEMBL8773721 0.74 TSHR (0.38) TSHR
SCHEMBL2567131 0.73 CYP1A2 (0.39) CYP1A2MAPK1TSHR
SCHEMBL23388982 0.73 TSHR (0.32) ALDH1A1TSHR
SCHEMBL9308453 0.70
SCHEMBL8435513 0.70 CYP1A2 (0.33) CYP1A2MAPK1
SCHEMBL8024855 0.70 CYP1A2 (0.37) CYP1A2MAPK1
SCHEMBL16580145 0.69 CYP1A2 (0.44) CYP1A2MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781762-B1 Process for preparing glycine-N,N-diacetic acid derivatives BASF AG (DE) 2004-01-07 EP disclosed
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
US-6008176-A AS TEXTILE DETERGENT BUILDERS IN POWDER DETERGENT FORMULATIONS AND AS CALCIUM SEQUESTRANTS IN ORAL HYGIENE PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
US-6005141-A ALSO USED AS TEXTILE DETERGENT BUILDERS IN POWDER DETERGENT FORMULATIONS AND AS CALCIUM SEQUESTRANTS IN ORAL HYGIENE PRODUCTS; REACTING 2-SUBSTITUTED GLYCINES OR 2-SUBSTITUTED GLYCINONITRILES WITH FORMALDEHYDE AND HYDROGEN CYANIDE BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
US-5786313-A ALPHA-ALANINE-N,N-DIACETIC ACID; INDUSTRIAL CLEANING; DISHWASHING BASF AKTIENGESELLSCHAFT (DE) 1998-07-28 US 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
EP-0703971-A1 USE OF GLYCINE-N,N-DIACETIC ACID DERIVATIVES AS BIODEGRADABLE COMPLEXING AGENTS FOR ALKALINE EARTH AND HEAVY METAL IONS, AND METHOD OF PREPARING THEM BASF AKTIENGESELLSCHAFT (DE) 1996-04-03 EP disclosed
WO-1994029421-A1 USE OF GLYCINE-N,N-DIACETIC ACID DERIVATIVES AS BIODEGRADABLE COMPLEXING AGENTS FOR ALKALINE EARTH AND HEAVY METAL IONS, AND METHOD OF PREPARING THEM BASF AKTIENGESELLSCHAFT (DE) 1994-12-22 WO disclosed