Butane

Butane

SCHEMBL1774672

B.CCCC.[N-]=[N+]=[N-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

⚠ 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
Butane SCHEMBL9060189 0.90
Butane SCHEMBL7063280 0.90
Butane SCHEMBL1472674 0.90
Butane SCHEMBL891634 0.78
Propanol SCHEMBL1922330 0.73
Pentane SCHEMBL28529130 0.73
Pentane SCHEMBL28529129 0.73 TSHR (0.58)
Butane SCHEMBL10767536 0.72
Butane SCHEMBL6896838 0.72 TSHR (0.40)
Butane SCHEMBL2271315 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US claimed
EP-1646636-B1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2009-12-02 EP claimed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US disclosed
US-20100184991-A1 PREPARATION OF TERAZOLE DERIVATIVES SEDELMEIER GOTTFRIED 2010-07-22 US disclosed
EP-1646636-B1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2009-12-02 EP disclosed
EP-2116548-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2009-11-11 EP disclosed
US-20080200687-A1 Preparation of Terazole Derivatives SEDELMEIER GOTTFRIED 2008-08-21 US disclosed
EP-1907378-A1 PREPARATION OF TERAZOLE DERIVATIVES Novartis AG (CH) 2008-04-09 EP disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO disclosed
EP-1646636-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2006-04-19 EP disclosed
WO-2005014602-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2005-02-17 WO disclosed