SCHEMBL131402

SCHEMBL131402

[CH2]CC(C)(C)OC(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
SCHEMBL126945 0.78
SCHEMBL130530 0.78
SCHEMBL21499767 0.75
SCHEMBL3146943 0.73
SCHEMBL727837 0.71
SCHEMBL11103399 0.71
SCHEMBL17700630 0.71
SCHEMBL12668364 0.71
SCHEMBL16499903 0.71
SCHEMBL2958602 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1786552-A1 METHOD OF MAKING POLYMER MONOLITH COMPOSITE SUBSTRATE AND RESULTING SUBSTRATE AS WELL AS BEADS AND BEAD ARRAY Applera Corporation (US) 2007-05-23 EP disclosed
US-20060078983-A1 Polymer monolith substrate APPLERA CORPORATION (US) 2006-04-13 US disclosed
WO-2006026378-A1 METHOD OF MAKING POLYMER MONOLITH COMPOSITE SUBSTRATE AND RESULTING SUBSTRATE AS WELL AS BEADS AND BEAD ARRAY APPLERA CORPORATION (US) 2006-03-09 WO disclosed