SCHEMBL4553480

SCHEMBL4553480

C=C(N)C(S)C(=O)O

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
SCHEMBL11750680 0.75
SCHEMBL830552 0.73
SCHEMBL14533362 0.71 HPGD (0.40)
SCHEMBL10414526 0.71
SCHEMBL18140092 0.67 TDP1 (0.36)
SCHEMBL88708 0.67
SCHEMBL12807550 0.67
SCHEMBL28886836 0.65
SCHEMBL8064738 0.63
SCHEMBL3061046 0.63

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
EP-2094253-A1 ACETAMINOPHEN COMPOSITIONS HAVING MINIMIZED SIDE EFFECTS INCLUDING REDUCED HEPATOTOXICITY Soderling, Eric M. (US) 2009-09-02 EP disclosed
WO-2008073344-A1 ACETAMINOPHEN COMPOSITIONS HAVING MINIMIZED SIDE EFFECTS INCLUDING REDUCED HEPATOTOXICITY SODERLING ERIC M (US) 2008-06-19 WO disclosed
US-20080139654-A1 ACETAMINOPHEN COMPOSITIONS HAVING MINIMIZED SIDE EFFECTS INCLUDING REDUCED HEPATOTOXICITY SODERLING ERIC MOTT 2008-06-12 US disclosed
US-20080139654-A1 ACETAMINOPHEN COMPOSITIONS HAVING MINIMIZED SIDE EFFECTS INCLUDING REDUCED HEPATOTOXICITY SODERLING ERIC MOTT 2008-06-12 US disclosed