SCHEMBL12136170

SCHEMBL12136170

CC(=O)OCC(C)(Cl)Cl

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
SCHEMBL732714 0.81
SCHEMBL11603166 0.79
SCHEMBL686167 0.79
SCHEMBL6340782 0.79 ALDH1A1 (0.43)
SCHEMBL3199088 0.78 ALDH1A1 (0.48)
SCHEMBL14627793 0.78 ALDH1A1 (0.48)
SCHEMBL697625 0.78
SCHEMBL22012650 0.77
SCHEMBL13518717 0.77
SCHEMBL16672230 0.77 ALDH1A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
US-9777018-B2 Compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-10-03 US disclosed
US-20150361092-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-12-17 US disclosed
US-9181214-B2 Bicyclic compounds as modulators of GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2015-11-10 US disclosed
US-20130045986-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2013-02-21 US disclosed
US-20110286937-A1 SYNTHETIC GLYCOLIPID-CONTAINING LIPOSOME GIFU UNIVERSITY (JP) 2011-11-24 US disclosed