SCHEMBL440594

SCHEMBL440594

C=CC(=O)C#CC

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
SCHEMBL13456881 0.71
SCHEMBL12036083 0.71
SCHEMBL27170270 0.69 LMNA (0.35)
SCHEMBL28992489 0.67 TSHR (0.34)
SCHEMBL14052652 0.65
SCHEMBL2859859 0.65
SCHEMBL4752578 0.65
SCHEMBL9828583 0.65
SCHEMBL1252799 0.65
SCHEMBL2125754 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-8101200-B2 Drug delivery; insertion at tumor site ANGIOTECH BIOCOATINGS, INC. 2012-01-24 US disclosed
EP-0971753-B1 BONDING LAYERS FOR MEDICAL DEVICE SURFACE COATINGS ANGIOTECH BIOCOATINGS CORP (US) 2005-10-19 EP disclosed
EP-1121301-B1 PACKAGING WRAPPER AMCOR FLEXIBLES TRANSPAC (BE) 2003-02-26 EP disclosed
US-20020018795-A1 Targeted therapeutic agent release devices and methods of making and using the same ANGIOTECH PHARMACEUTICALS (US), INC. 2002-02-14 US disclosed
WO-2001078626-A1 TARGETED THERAPEUTIC AGENT RELEASE DEVICES AND METHODS OF MAKING AND USING THE SAME STS BIOPOLYMERS, INC. (US) 2001-10-25 WO disclosed
US-6306176-B1 Bonding layers for medical device surface coatings STS BIOPOLYMERS, INC. 2001-10-23 US disclosed
EP-1121301-A1 PACKAGING WRAPPER Transpac N.V. (BE) 2001-08-08 EP disclosed
WO-2000021852-A1 PACKAGING WRAPPER TRANSPAC N.V. (BE) 2000-04-20 WO disclosed
EP-0971753-A1 BONDING LAYERS FOR MEDICAL DEVICE SURFACE COATINGS STS Biopolymers, Inc. (US) 2000-01-19 EP disclosed
WO-1998032474-A1 BONDING LAYERS FOR MEDICAL DEVICE SURFACE COATINGS STS BIOPOLYMERS, INC. (US) 1998-07-30 WO disclosed