SCHEMBL24548582

SCHEMBL24548582

CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c5cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#Cc6cn(C7CC(OCN=[N+]=[N-])C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O7)c7ncnc(N)c67)c5)ccc4o3)c(=O)oc2c1

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
SCHEMBL25997443 0.93 — —
SCHEMBL24548684 0.88 — —
SCHEMBL23419401 0.87 — —
SCHEMBL24548581 0.87 CA2 (0.31) —
SCHEMBL29338629 0.86 P2RY2 (0.32) —
SCHEMBL24254201 0.86 P2RY2 (0.32) —
SCHEMBL24570760 0.85 — —
SCHEMBL25997481 0.84 — —
SCHEMBL26050477 0.83 — —
SCHEMBL24141662 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022136402-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID SEQUENCING ILLUMINA CAMBRIDGE LIMITED (GB) 2022-06-30 — — WO disclosed
US-20220195518-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID SEQUENCING ILLUMINA CAMBRIDGE LIMITED (GB) 2022-06-23 — — US disclosed
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