SCHEMBL5217625

SCHEMBL5217625

CC[CH]CC(C)CCO[Si](C)(C)C(C)(C)C

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
SCHEMBL10608921 0.81 DUT (0.31)
SCHEMBL10608918 0.81 DUT (0.31)
SCHEMBL14371399 0.80 DUT (0.30)
SCHEMBL12957404 0.80 DUT (0.30)
SCHEMBL10606545 0.79
SCHEMBL10606541 0.79
SCHEMBL10606539 0.79
SCHEMBL19090869 0.74 TSHR (0.38)
SCHEMBL9336985 0.74 ALOX15 (0.31)
SCHEMBL29217239 0.74 ALOX15 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852427-A1 Biologically active 4H-Benzo [1,4] oxazin-3-ones Ortho-McNeil Pharmaceutical, Inc. (US) 2007-11-07 EP disclosed
EP-1280784-B1 BIOLOGICALLY ACTIVE 4H-BENZO 1,4|OXAZIN-3-ONES ORTHO MCNEIL PHARM INC (US) 2007-06-27 EP disclosed
US-6908908-B2 Biologically active 4H-benzo [1,4] oxazin-3-ones ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-06-21 US disclosed
US-6599899-B2 2-(2-(4-hexyl-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-2-yl)ethoxy) - benzeneacetic acid for example; prophylaxis of onset of glucose or lipid metabolism disorders, such as non-insulin dependant diabetes mellitus or obesity ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-29 US disclosed
EP-1314729-A1 Biologically active 4H-benzo(1,4)oxazin-3-ones Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP disclosed
US-20030083329-A1 Biologically active 4H-benzo [1,4] oxazin-3-ones ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-01 US disclosed
US-6555536-B2 Antiproliferative agents; antidiabetic agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-29 US disclosed
EP-1280784-A2 BIOLOGICALLY ACTIVE 4H-BENZO 1,4]OXAZIN-3-ONES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-02-05 EP disclosed
EP-1280782-A2 NOVEL BENZOXAZINONES AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA MODULATORS AND METHOD OF TREATMENT Ortho-McNeil Pharmaceutical, Inc. (US) 2003-02-05 EP disclosed
US-20020165228-A1 Biologically active 4H-benzo [1,4]oxazin-3-ones ORTH-MCNEIL PHARMACEUTICAL INC. 2002-11-07 US disclosed
US-20020103193-A1 Novel benzoxazinones as peroxisome proliferator activated receptor gamma modulators and method of treatment ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-01 US disclosed
WO-2001087862-A2 BIOLOGICALLY ACTIVE 4H-BENZO[1,4]OXAZIN-3-ONES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
WO-2001087860-A2 NOVEL BENZOXAZINONES AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA MODULATORS AND METHOD OF TREATMENT ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed