SCHEMBL2192209

SCHEMBL2192209

NCC(=O)C#CC(N)=O

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
SCHEMBL1003846 0.77
SCHEMBL4454544 0.67
SCHEMBL6276220 0.65
SCHEMBL7205234 0.65
SCHEMBL11294277 0.63 LMNA (0.39)
SCHEMBL26114372 0.63
SCHEMBL10403737 0.63
SCHEMBL10350383 0.63
Aminomethylamide SCHEMBL1354065 0.61 OR51E2 (0.54)
Aminomethylamide SCHEMBL8299 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011085231-A2 SYNTHETIC VIRUS-LIKE PARTICLES CONJUGATED TO HUMAN PAPILLOMAVIRUS CAPSID PEPTIDES FOR USE AS VACCINES SELECTA BIOSCIENCES, INC. (US) 2011-07-14 WO claimed
US-20110171248-A1 SYNTHETIC VIRUS-LIKE PARTICLES CONJUGATED TO HUMAN PAPILLOMAVIRUS CAPSID PEPTIDES FOR USE AS VACCINES SELECTA BIOSCIENCES, INC. (US) 2011-07-14 US disclosed
WO-2011085231-A2 SYNTHETIC VIRUS-LIKE PARTICLES CONJUGATED TO HUMAN PAPILLOMAVIRUS CAPSID PEPTIDES FOR USE AS VACCINES SELECTA BIOSCIENCES, INC. (US) 2011-07-14 WO disclosed
EP-0692979-A1 BIFUNCTIONAL CHELATORS AND THEIR USE IN RADIOPHARMACEUTICALS INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1996-01-24 EP disclosed
WO-1994022491-A1 BIFUNCTIONAL CHELATORS AND THEIR USE IN RADIOPHARMACEUTICALS Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1994-10-13 WO disclosed