Butane

Butane

SCHEMBL1803262

CCCC.NNC(=O)O

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
Alcohol SCHEMBL23388798 0.87
SCHEMBL28164350 0.85 GPR84 (0.52)
Pentadecane SCHEMBL28164394 0.85 GPR84 (0.52)
SCHEMBL28164344 0.85 GPR84 (0.52)
SCHEMBL28164393 0.85 GPR84 (0.52)
SCHEMBL28164867 0.85 GPR84 (0.52)
Nonacosane SCHEMBL28228082 0.85 GPR84 (0.52)
SCHEMBL28164861 0.85 GPR84 (0.52)
Hexadecane SCHEMBL28848112 0.85 GPR84 (0.52)
SCHEMBL28164349 0.85 GPR84 (0.52)

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-20160313356-A1 METHODS AND KITS FOR DETECTING FUNGAL INFECTION SEMOREX INC. (US) 2016-10-27 US disclosed
US-9383373-B2 Methods for detecting fungal infection SEMOREX INC. (US) 2016-07-05 US disclosed
EP-1955069-B1 METHODS AND KITS FOR DETECTING FUNGAL INFECTION SEMOREX INC (US) 2015-03-18 EP disclosed
US-7951952-B2 Method for preparing N-aminopiperidine and its salts SANOFI-AVENTIS (FR) 2011-05-31 US disclosed
US-20090111129-A1 Methods and Kits for Detecting Fungal Infection SEMOREX INC. (US) 2009-04-30 US disclosed
US-20080306274-A1 METHOD FOR PREPARING N-AMINOPIPERIDINE AND ITS SALTS SANOFI-AVENTIS (FR) 2008-12-11 US disclosed
EP-1955069-A2 METHODS AND KITS FOR DETECTING FUNGAL INFECTION Semorex Inc. (US) 2008-08-13 EP disclosed
US-20070173648-A1 METHOD FOR PREPARING N-AMINOPIPERIDINE AND ITS SALTS SANOFI-AVENTIS (FR) 2007-07-26 US disclosed
WO-2007057891-A2 METHODS AND KITS FOR DETECTING FUNGAL INFECTION SEMOREX INC. (US) 2007-05-24 WO disclosed
WO-2003018577-A1 ANTIVIRAL NUCLEOSIDE DERIVATIVES AND PROCESS FOR PREPARING THE SAME POSTECH FOUNDATION (KR) 2003-03-06 WO disclosed