SCHEMBL127452

SCHEMBL127452

CC(=O)[CH]CC(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
SCHEMBL125682 0.77
SCHEMBL491235 0.74
SCHEMBL130601 0.72
SCHEMBL131167 0.72
SCHEMBL160033 0.72
SCHEMBL1734717 0.72
SCHEMBL18290946 0.72 GRIK1 (0.39)
SCHEMBL6656799 0.72 GRIK1 (0.39)
SCHEMBL13567329 0.72 GRIK1 (0.39)
SCHEMBL15080406 0.72

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
CN-107550860-A A kind of acetylisovaleryl tylosin nano-emulsion and preparation method thereof 成都泠汐尚品科技有限公司 2018-01-09 CN disclosed
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
US-20100204282-A1 Reverse indoles as 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS, INC. 2010-08-12 US 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