SCHEMBL2735545

SCHEMBL2735545

CC1(C)CCCC(/N=C\N)C1

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
SCHEMBL6052865 0.68 ALDH1A1 (0.50)
Iodide SCHEMBL9427887 0.66 SIGMAR1 (0.31)
Formamide SCHEMBL28279597 0.65
Methylamine SCHEMBL28038298 0.64 CYP1A2 (0.41)
SCHEMBL2698963 0.64
SCHEMBL12607355 0.64
SCHEMBL12607353 0.64
SCHEMBL18435370 0.64
Hydrochloric Acid SCHEMBL13345 0.63
Hydrochloric Acid SCHEMBL1785868 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1501495-B1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI NABRIVA THERAPEUTICS AG (AT) 2010-09-08 EP disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
EP-1875903-B1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES NABRIVA THERAPEUTICS AG (AT) 2010-07-28 EP disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed