SCHEMBL4201657

SCHEMBL4201657

O=[C]OC(F)(F)C(F)(C(F)(F)F)C(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
SCHEMBL843882 0.81
SCHEMBL1767225 0.77
SCHEMBL844221 0.74
SCHEMBL843913 0.72 LMNA (0.33)
SCHEMBL2109729 0.72 LMNA (0.33)
SCHEMBL2110589 0.72 LMNA (0.33)
SCHEMBL2110523 0.72 LMNA (0.33)
SCHEMBL2109493 0.72 LMNA (0.33)
SCHEMBL2111322 0.72 LMNA (0.33)
SCHEMBL843775 0.72 LMNA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494996-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2009-02-24 US disclosed
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
EP-1328275-B1 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2008-05-07 EP disclosed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 EP disclosed
EP-1337150-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2007-09-26 EP disclosed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 WO disclosed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 US disclosed
US-6995157-B2 Substituted 4,5-dihydro-1,2,4-triazin-3-ones, 1,2,4-triazin-3-ones, and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2006-02-07 US disclosed
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides KELLY MARTHA JEAN (US) 2004-12-02 US disclosed
EP-1328275-A4 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2004-03-10 EP disclosed
US-20040019209-A1 Substituted 4,5-dihydro-1,2,4-triazin-3-ones,1,2,4-triazin-3-ones, and their use as fungicides and insecticides DOW AGROSCIENCES LLC 2004-01-29 US disclosed
EP-1337150-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-08-27 EP disclosed
EP-1328275-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES Dow AgroSciences LLC (US) 2003-07-23 EP disclosed
WO-2002067675-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIAZIN-6-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-09-06 WO disclosed
WO-2002056682-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-3-ONES, 1,2,4-TRIAZIN-3-ONES, AND THEIR USE AS FUNGICIDES AND INSECTICIDES DOW AGROSCIENCES LLC (US) 2002-07-25 WO disclosed