SCHEMBL127741

SCHEMBL127741

CCC[CH]OCC(F)(F)F

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
SCHEMBL128550 0.86 TSHR (0.33)
SCHEMBL128962 0.84 FAAH (0.35)
SCHEMBL3837885 0.81
SCHEMBL125932 0.79
SCHEMBL3844510 0.78 MAPK1 (0.34)
SCHEMBL4508242 0.77
SCHEMBL7861119 0.76
SCHEMBL128194 0.75
SCHEMBL17048724 0.73
SCHEMBL7858166 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 25 patents — showing the first 20. 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-1550664-B1 SILICON COMPOUND JNC CORP (JP) 2012-06-27 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
EP-1650214-B1 Silicon compound CHISSO CORP (JP) 2009-11-04 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-1686133-B1 Organosilicon compound CHISSO CORP (JP) 2008-08-20 EP disclosed
US-7399819-B2 Silicon compound CHISSO CORPORATION (JP) 2008-07-15 US disclosed
US-7375170-B2 Organosilicon compound CHISSO CORPORATION (JP) 2008-05-20 US disclosed
EP-1686133-A2 Organosilicon compound CHISSO CORPORATION (JP) 2006-08-02 EP disclosed
US-7053167-B2 Silsesquioxane derivative having functional group CHISSO CORPORATION (JP) 2006-05-30 US disclosed
US-20060094849-A1 Silicon compound JNC CORPORATION (JP) 2006-05-04 US disclosed
US-20060089504-A1 Silsesquioxane derivative having functional group ITO KENYA 2006-04-27 US disclosed
EP-1650214-A2 Silicon compound CHISSO CORPORATION (JP) 2006-04-26 EP disclosed
US-20050250925-A1 Silicon compound JNC CORPORATION (JP) 2005-11-10 US disclosed
US-20050215807-A1 Silsesquioxane derivative JNC CORPORATION (JP) 2005-09-29 US disclosed
EP-1550664-A1 SILICON COMPOUND CHISSO CORPORATION (JP) 2005-07-06 EP disclosed
US-20040068074-A1 Production process for silsesquioxane derivative having functional group and silsesquioxane derivative JNC CORPORATION (JP) 2004-04-08 US disclosed
US-20040030084-A1 Production process for silsesquioxane derivative and silsesquioxane derivative JNC CORPORATION (JP) 2004-02-12 US disclosed