SCHEMBL4884653

SCHEMBL4884653

N=C=NOC(=O)Cl

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
SCHEMBL28066932 0.77
SCHEMBL7540195 0.74
SCHEMBL27095789 0.74
SCHEMBL27988433 0.72
SCHEMBL9748590 0.72
SCHEMBL9279259 0.67
SCHEMBL9055158 0.67 TSHR (0.33)
SCHEMBL6541912 0.65
SCHEMBL16589627 0.65
SCHEMBL9136351 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293660-A1 CHEMICALLY-DEFINED NON-POLYMERIC VALENCY PLATFORM MOLECULES AND CONJUGATES THEREOF LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-11-27 US disclosed
US-20070254851-A1 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY 2007-11-01 US disclosed
EP-1808183-A2 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-07-18 EP disclosed
US-5633395-A Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 1997-05-27 US disclosed
US-5606047-A INCLUDES POLYNUCLEOTIDE DUPLEXES THAT HAVE SIGNIFICANT BINDING ACTIVITY FOR LUPUS ANTIBODIES LA JOLLA PHARMACEUTICAL COMPANY (US) 1997-02-25 US disclosed
US-5552391-A Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (US) 1996-09-03 US disclosed
EP-0642798-A2 Chemically-defined non-polymeric valency platform molecules and conjugates thereof LA JOLLA PHARMACEUTICAL COMPANY (CA) 1995-03-15 EP disclosed