SCHEMBL423898

SCHEMBL423898

C[N+]1([O-])CCOC(=O)C1

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
SCHEMBL11141927 0.76
SCHEMBL21821290 0.66 SLC18A3 (0.33)
SCHEMBL12318246 0.65 LMNA (0.33)
SCHEMBL12318242 0.65 CA1 (0.37)
SCHEMBL2402406 0.65 ALDH1A1 (0.33)
Bromide SCHEMBL17338082 0.65 SLC18A3 (0.33)
Bromide SCHEMBL2403004 0.64 ALDH1A1 (0.32)
SCHEMBL16271551 0.63 KDM4E (0.43)
SCHEMBL7424166 0.61 TTR (0.31)
SCHEMBL16973866 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722864-B2 Glycosylated acetaminophen pro-drug analogs NuTek Pharma Ltd. (US) 2014-05-13 US disclosed
US-20130217640-A1 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG NuTek Pharma Ltd. 2013-08-22 US disclosed
US-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs NuTek Pharma Ltd. 2012-01-26 US disclosed
WO-2012012339-A2 GLYCOSYLATED ACETAMINOPHEN PRO-DRUG ANALOGS NuTek Pharma Ltd. (US) 2012-01-26 WO disclosed