SCHEMBL8064628

SCHEMBL8064628

c1[nH]nnc1C(c1c[nH]nn1)c1c[nH]nn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5865738 0.79 SLC6A2 (0.45)
SCHEMBL5014124 0.74
SCHEMBL11153371 0.74
SCHEMBL9834069 0.74
SCHEMBL22698696 0.74
SCHEMBL2649622 0.74
SCHEMBL1680597 0.74
SCHEMBL2645752 0.74
Hydrochloric Acid SCHEMBL17239439 0.72
Hydrochloric Acid SCHEMBL10971740 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807159-B1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING COBALT CHELATED CATALYSTS PROCTER & GAMBLE (US) 2000-05-24 EP disclosed
EP-0807159-A1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING COBALT CHELATED CATALYSTS THE PROCTER & GAMBLE COMPANY (US) 1997-11-19 EP disclosed
WO-1996023860-A1 AUTOMATIC DISHWASHING COMPOSITIONS COMPRISING COBALT CHELATED CATALYSTS THE PROCTER & GAMBLE COMPANY (US) 1996-08-08 WO disclosed
WO-1996006154-A1 DETERGENT BLEACH COMPOSITION UNILEVER N.V. (NL) 1996-02-29 WO disclosed
WO-1996006157-A1 DETERGENT BLEACH COMPOSITION UNILEVER N.V. (NL) 1996-02-29 WO disclosed