SCHEMBL3271034

SCHEMBL3271034

Cc1c(C(=O)C2=C(O)C3CCC(C3)C2=O)ccc(C(F)(F)F)[n+]1[O-]

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
SCHEMBL2352773 0.78 LMNA (0.40)
SCHEMBL2352779 0.78 LMNA (0.40)
SCHEMBL10053351 0.77 P2RX7 (0.32)
SCHEMBL6374100 0.75 RBP4 (0.34)
SCHEMBL3272484 0.71 TUBB4A (0.31)
SCHEMBL3272492 0.71 TUBB4A (0.31)
SCHEMBL13401459 0.69 APLNR (0.31)
SCHEMBL3273230 0.69 TUBB4A (0.30)
SCHEMBL3279213 0.69 TUBB4A (0.34)
SCHEMBL3273238 0.69 TUBB4A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691785-B2 Pyridine-3-ketone compound; plant growth controllers SYNGENTA CROP PROTECTION, INC. (US) 2010-04-06 US disclosed
US-20080274891-A1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-7378375-B1 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-05-27 US disclosed
EP-1574510-A1 Substituted pyridine herbicides Syngenta Participations AG (CH) 2005-09-14 EP disclosed
EP-1114030-B1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
US-6838564-B2 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. (US) 2005-01-04 US disclosed
US-20040097729-A1 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. 2004-05-20 US disclosed
EP-1286985-A1 SUBSTITUTED PYRIDINE HERBICIDES Syngenta Participations AG (CH) 2003-03-05 EP disclosed
US-6498125-B2 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-12-24 US disclosed
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US disclosed
WO-2001094339-A1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-12-13 WO disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 WO disclosed