Cyclohexane

Cyclohexane

SCHEMBL182526

C1CCCCC1.NN

nearest known ligand 0.00

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⚠ 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
Hydrazine SCHEMBL2692899 1.00
Cyclopropane SCHEMBL11090628 1.00
Cyclohexane SCHEMBL28967114 0.84
SCHEMBL13468315 0.78 ALDH1A1 (0.33)
SCHEMBL1542881 0.78 ALDH1A1 (0.33)
Cyclohexane SCHEMBL23142614 0.78 ALDH1A1 (0.33)
SCHEMBL2761107 0.78 ALDH1A1 (0.33)
Cyclooctane SCHEMBL11038481 0.78 ALDH1A1 (0.33)
Cyclooctane SCHEMBL31262 0.78
Cyclohexane SCHEMBL2291099 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402319-B1 DGAT Inhibitors NOVARTIS AG (CH) 2017-08-30 EP disclosed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
US-20130018054-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
US-20130018074-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2418202-A1 New compounds Novartis AG (CH) 2012-02-15 EP disclosed
EP-2404905-A1 New compounds Novartis AG (CH) 2012-01-11 EP disclosed
EP-2402319-A1 DGAT Inhibitors Novartis AG (CH) 2012-01-04 EP disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
EP-2301923-A1 New compounds Novartis AG (CH) 2011-03-30 EP disclosed
US-20090247534-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2009-10-01 US disclosed
EP-2004607-A2 NEW COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007126957-A2 NEW COMPOUNDS NOVARTIS AG (CH) 2007-11-08 WO disclosed
CN-1008911-B Crosslinkable composition containing non-newtonian colloidal dispersion LUBRIZOL CORP (US) 1990-07-25 CN disclosed
CN-1008114-B WATER-IN-OIL EMULSION LUBRIZOL CORP (US) 1990-05-23 CN disclosed
CN-86108192-A The emulsion of Water in oil 1987-09-09 CN disclosed
CN-86101020-A The crosslinkable composite that contains the non newtonian colloidal dispersion system 1986-10-08 CN disclosed
EP-0104484-A1 A heterocyclic compound and its use as herbicide Nippon Kayaku Kabushiki Kaisha (JP) 1984-04-04 EP disclosed