SCHEMBL3857958

SCHEMBL3857958

N=C1CC(=O)N(O)C1=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
SCHEMBL15411495 0.74
SCHEMBL21611711 0.72
SCHEMBL3097311 0.70
SCHEMBL8379435 0.70
SCHEMBL2239766 0.67 RNASEH1 (0.38)
SCHEMBL3847119 0.67 RNASEH1 (0.39)
SCHEMBL20734016 0.67
SCHEMBL2239780 0.59 MEN1 (0.39)
SCHEMBL785147 0.59
SCHEMBL338264 0.59 KDM4E (0.34)

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
CN-104507496-B Immunogenic compounds comprising HIV GP41 peptide coupled to CRM197 carrier protein 伊纳维尔瓦克斯公司 2018-08-03 CN disclosed
US-7482425-B2 Compositions for lipid matrix-assisted chemical ligation AMYLIN PHARMACEUTICALS, INC. (US) 2009-01-27 US disclosed
EP-1107979-B1 LIPID MATRIX-ASSISTED CHEMICAL LIGATION AND SYNTHESIS OF MEMBRANE POLYPEPTIDES GRYPHON THERAPEUTICS INC (US) 2006-07-05 EP disclosed
US-20030018169-A1 Lipid matrix-assisted chemical ligation and synthesis of membrane polypeptides AMYLIN PHARMACEUTICALS, INC. 2003-01-23 US disclosed
US-6451543-B1 PREFOLDED MEMBRANE POLYPEPTIDE EMBEDDED WITHIN A LIPID MATRIX VIA STEPWISE CHEMOSELECTIVE CHEMICAL LIGATION OF UNPROTECTED PEPTIDE SEGMENTS, WHERE AT LEAST ONE PEPTIDE SEGMENT IS EMBEDDED IN A LIPID MATRIX. GRYPHON SCIENCES 2002-09-17 US disclosed