SCHEMBL9900154

SCHEMBL9900154

COC(C)(C)c1nc(Cn2ncc([N+](=O)[O-])n2)co1

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
SCHEMBL2328497 0.87
SCHEMBL1703660 0.86 FPR2 (0.32)
SCHEMBL9900612 0.82 FPR2 (0.38)
SCHEMBL9899895 0.80
SCHEMBL2328492 0.79 FPR2 (0.33)
SCHEMBL9899898 0.79 FPR2 (0.38)
SCHEMBL9900144 0.77 FPR2 (0.46)
SCHEMBL9900171 0.73 FPR2 (0.37)
SCHEMBL9901343 0.72 FPR2 (0.50)
SCHEMBL1704162 0.72 FPR2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649068-B1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-8846733-B2 Oxazolyl-methylether derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 US disclosed
EP-2649068-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-10-16 EP disclosed
US-20130261159-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-03 US disclosed
CN-103261194-A Oxazolyl-methyl ether derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2013-08-21 CN disclosed
WO-2012077049-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-14 WO disclosed