SCHEMBL813411

SCHEMBL813411

CC(C)[NH2+]C(C)C.Fc1cc(F)c([B-](c2c(F)cc(F)c(F)c2F)(c2c(F)cc(F)c(F)c2F)c2c(F)cc(F)c(F)c2F)c(F)c1F

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
Dimethylamine SCHEMBL7085212 0.83
SCHEMBL217782 0.82 CA1 (0.33)
SCHEMBL817120 0.81
Ammonia Solution, Strong SCHEMBL21273398 0.80 CA1 (0.32)
Phosphine SCHEMBL28955379 0.80 CA1 (0.32)
Trimethylammonium SCHEMBL367682 0.79
Trimethylammonium SCHEMBL29552092 0.79
SCHEMBL23848350 0.78 CA1 (0.31)
Benzene SCHEMBL28371694 0.78 CA1 (0.31)
SCHEMBL216579 0.78

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-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US claimed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US claimed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US claimed
US-20070066776-A1 Catalyst composition II SOLAN GREGORY A 2007-03-22 US claimed
US-7189791-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-03-13 US claimed
EP-1641842-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND Exxonmobil Chemical Patents Inc. (US) 2006-04-05 EP claimed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US claimed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO claimed
US-8058372-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-11-15 US disclosed
US-7820582-B2 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-10-26 US disclosed
US-20080319147-A1 Catalyst Composition II EXXONMOBIL CHEMICAL PATENTS INC. 2008-12-25 US disclosed
US-7371803-B2 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-05-13 US disclosed
US-20070191607-A1 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-16 US disclosed
EP-1603929-B1 SOLUBLE GROUP-10 ALPHA-DIIMINE CATALYST PRECURSORS EXXONMOBIL CHEM PATENTS INC (US) 2007-08-01 EP disclosed
EP-1603956-A2 CATALYST COMPOSITION ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2005-12-14 EP disclosed
US-20040266961-A1 Catalyst composition II EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-30 US disclosed
WO-2004106390-A2 POLYMERIZATION AND OLIGOMERIZATION CATALYST WITH TRIDENTATE OR TETRADENTATE LIGAND EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242893-A1 Catalyst composition EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed
WO-2004085497-A2 CATALYST COMPOSITION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-10-07 WO disclosed
WO-2004083224-A1 SOLUBLE GROUP-10 α-DIIMINE CATALYST PRECURSORS, EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-09-30 WO disclosed