SCHEMBL16766321

SCHEMBL16766321

C[N+]1(C(Br)CCC(Br)[N+]2(C)CCOCC2)CCOCC1

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
SCHEMBL15053253 0.77
SCHEMBL12014172 0.69
SCHEMBL4798792 0.68
SCHEMBL8945280 0.67
Water SCHEMBL11438442 0.63
Hydrochloric Acid SCHEMBL15574505 0.63
SCHEMBL3266202 0.62
SCHEMBL12964271 0.62 LMNA (0.33)
SCHEMBL1223459 0.62
SCHEMBL511927 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227234-B1 SILICOALUMINOPHOSPHATE MOLECULAR SIEVES USING AN ORGANO-1-OXA-4-AZONIUMCYCLOHEXANE COMPOUND UOP LLC (US) 2021-05-26 EP disclosed
US-10654817-B2 Organo-1-oxa-4-azonium cyclohexane compounds UOP LLC (US) 2020-05-19 US disclosed
US-10633355-B2 Organo-1-oxa-4-azonium cyclohexane compounds UOP LLC (US) 2020-04-28 US disclosed
US-10597373-B2 Organo-1-oxa-4-azonium cyclohexane compounds UOP LLC (US) 2020-03-24 US disclosed
US-20180265486-A1 ORGANO-1-OXA-4-AZONIUM CYCLOHEXANE COMPOUNDS UOP LLC (US) 2018-09-20 US disclosed
US-20180265485-A1 ORGANO-1-OXA-4-AZONIUM CYCLOHEXANE COMPOUNDS UOP LLC (US) 2018-09-20 US disclosed
US-20180258058-A1 ORGANO-1-OXA-4-AZONIUM CYCLOHEXANE COMPOUNDS UOP LLC (US) 2018-09-13 US disclosed
US-9901911-B2 Coherently grown composite aluminophosphate and silicoaluminophosphate molecular sieves UOP LLC (US) 2018-02-27 US disclosed
US-9815706-B2 Zeolites using an organo-1-oxa-4-azoniumcyclohexane compound UOP LLC (US) 2017-11-14 US disclosed
US-9751772-B2 Aluminophosphate molecular sieves using an organo-1-oxa-4-azoniumcyclohexane compound UOP LLC (US) 2017-09-05 US disclosed
US-20170044120-A1 ORGANO-1-OXA-4-AZONIUM CYCLOHEXANE COMPOUNDS UOP LLC (US) 2017-02-16 US disclosed
US-9522896-B2 Organo-1-oxa-4-azonium cyclohexane compounds UOP LLC (US) 2016-12-20 US disclosed
US-20160175824-A1 COHERENTLY GROWN COMPOSITE ALUMINOPHOSPHATE AND SILICOALUMINOPHOSPHATE MOLECULAR SIEVES UOP LLC 2016-06-23 US disclosed
US-20160159656-A1 ALUMINOPHOSPHATE MOLECULAR SIEVES USING AN ORGANO-1-OXA-4-AZONIUMCYCLOHEXANE COMPOUND UOP LLC 2016-06-09 US disclosed
US-20160159760-A1 ORGANO-1-OXA-4-AZONIUM CYCLOHEXANE COMPOUNDS UOP LLC 2016-06-09 US disclosed
US-20160159655-A1 ZEOLITES USING AN ORGANO-1-OXA-4-AZONIUMCYCLOHEXANE COMPOUND UOP LLC 2016-06-09 US disclosed
US-20150158020-A1 SYNTHESIS OF ZEOLITES USING AN ORGANOAMMONIUM COMPOUND UOP LLC 2015-06-11 US disclosed