SCHEMBL3087974

SCHEMBL3087974

NC1=NCCCCC1

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
SCHEMBL5560420 1.00
SCHEMBL14828479 1.00 NOS1 (1.00)
SCHEMBL13973780 1.00 NOS1 (1.00)
SCHEMBL5560012 1.00 NOS1 (1.00)
SCHEMBL5560014 1.00 NOS1 (1.00)
SCHEMBL5560009 1.00 NOS1 (1.00)
SCHEMBL2661739 1.00 NOS1 (1.00)
SCHEMBL5560414 1.00
SCHEMBL12826895 1.00 NOS1 (1.00)
SCHEMBL574735 0.97

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203745-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-08-13 US claimed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 US claimed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US claimed
WO-2005090329-A9 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2007-02-01 WO claimed
EP-1727811-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF Jerini AG (DE) 2006-12-06 EP claimed
WO-2005090329-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2005-09-29 WO claimed
US-10092596-B2 Tungstate treatment of the dysbiosis associated with gastrointestinal inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-10-09 US disclosed
US-20160158282-A1 TUNGSTATE TREATMENT OF THE DYSBIOSIS ASSOCIATED WITH GASTROINTESTINAL INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-09 US disclosed
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
US-8501787-B2 Compounds for the inhibition of angiogenesis and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2013-08-06 US disclosed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US disclosed
US-20070155712-A1 Compounds for the inhibition of angiogenesis and use thereof JERINI AG (DE) 2007-07-05 US disclosed
EP-1727811-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF Jerini AG (DE) 2006-12-06 EP disclosed
WO-2006103255-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2006-10-05 WO disclosed
WO-2005090329-A1 NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF JERINI AG (DE) 2005-09-29 WO disclosed
US-4404205-A CARDIOTONIC AGENTS; ANGINA PECTORIS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-09-13 US disclosed