SCHEMBL2107728

SCHEMBL2107728

CCCN=C(C)C=N

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
SCHEMBL2108891 0.78
SCHEMBL1933053 0.76
SCHEMBL1933055 0.76
SCHEMBL20145725 0.72
SCHEMBL29558829 0.72 ALDH1A1 (0.33)
SCHEMBL23048486 0.72
SCHEMBL10745554 0.69
SCHEMBL10745553 0.69
SCHEMBL22007925 0.69
SCHEMBL6374261 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010534270-A 2010-11-04 JP claimed
EP-2185603-A2 METHODS FOR INTRODUCTING REACTIVE SECONDARY AMINES PENDANT TO POLYMER BACKBONES THAT ARE USEFUL FOR DIAZENIUMDIOLATION Medtronic Vascular Inc. (US) 2010-05-19 EP claimed
US-20090222088-A1 Secondary Amine Containing Nitric Oxide Releasing Polymer Composition MEDTRONIC VASCULAR, INC. (US) 2009-09-03 US claimed
US-20090028966-A1 Methods for Introducing Reactive Secondary Amines Pendant to Polymers Backbones that are Useful for Diazeniumdiolation MEDTRONIC VASCULAR, INC. (US) 2009-01-29 US claimed
WO-2009014829-A2 METHODS FOR INTRODUCING REACTIVE SECONDARY AMINES PENDANT TO POLYMER BACKBONES THAT ARE USEFUL FOR DIAZENIUMDIOLATION MEDTRONIC VASCULAR INC. (US) 2009-01-29 WO claimed
US-8158187-B2 Dry diazeniumdiolation methods for producing nitric oxide releasing medical devices MEDTRONIC VASCULAR, INC. (US) 2012-04-17 US disclosed
US-20100159119-A1 Dry Diazeniumdiolation Methods for Producing Nitric Oxide Releasing Medical Devices MEDTRONIC VASCULAR, INC. (US) 2010-06-24 US disclosed
EP-2185603-A2 METHODS FOR INTRODUCTING REACTIVE SECONDARY AMINES PENDANT TO POLYMER BACKBONES THAT ARE USEFUL FOR DIAZENIUMDIOLATION Medtronic Vascular Inc. (US) 2010-05-19 EP disclosed
US-20090222088-A1 Secondary Amine Containing Nitric Oxide Releasing Polymer Composition MEDTRONIC VASCULAR, INC. (US) 2009-09-03 US disclosed
US-20090028966-A1 Methods for Introducing Reactive Secondary Amines Pendant to Polymers Backbones that are Useful for Diazeniumdiolation MEDTRONIC VASCULAR, INC. (US) 2009-01-29 US disclosed
WO-2009014829-A2 METHODS FOR INTRODUCING REACTIVE SECONDARY AMINES PENDANT TO POLYMER BACKBONES THAT ARE USEFUL FOR DIAZENIUMDIOLATION MEDTRONIC VASCULAR INC. (US) 2009-01-29 WO disclosed