SCHEMBL7377633

SCHEMBL7377633

C=[C]CC(=O)OCC

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
SCHEMBL2944114 0.79 GAA (0.57)
SCHEMBL11419005 0.79 GAA (0.57)
SCHEMBL8529797 0.77
SCHEMBL82646 0.77
SCHEMBL1140911 0.77
SCHEMBL8198739 0.76
SCHEMBL400638 0.76
SCHEMBL70685 0.75
SCHEMBL2395485 0.75 GAA (0.52)
SCHEMBL5517685 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 EP claimed
EP-0832110-A1 ANTIVIRAL PEPTOID COMPOUNDS Novartis AG (CH) 1998-04-01 EP disclosed
EP-0815081-A1 PIPERIDINYL-2-ALKYL SUBST. LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION Novartis AG (CH) 1998-01-07 EP disclosed
EP-0808309-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS S-ADENOSYLMETHIONINE DECARBOXYLASE (=SAMDC) INHIBITORS Novartis AG (CH) 1997-11-26 EP disclosed
WO-1996040759-A1 ANTIVIRAL PEPTOID COMPOUNDS NOVARTIS AG (CH) 1996-12-19 WO disclosed
WO-1996028425-A1 PIPERIDINYL-2-ALKYL SUBST. LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION NOVARTIS AG (CH) 1996-09-19 WO disclosed
WO-1996022979-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS S-ADENOSYLMETHIONINE DECARBOXYLASE (=SAMDC) INHIBITORS NOVARTIS AG (CH) 1996-08-01 WO disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
EP-0686143-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT Novartis AG (CH) 1995-12-13 EP disclosed
WO-1995018091-A1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA-GEIGY AG (CH) 1995-07-06 WO disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed