SCHEMBL24570760

SCHEMBL24570760

CCN(CC)c1ccc2cc(-c3nc4cc(C(=O)NCCNC(=O)c5cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#CC6=CN(C7CC(OCN=[N+]=[N-])C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O7)C(O)N=C6N)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
SCHEMBL24548684 0.91 — —
SCHEMBL25997443 0.90 — —
SCHEMBL29338629 0.86 P2RY2 (0.32) —
SCHEMBL24254201 0.86 P2RY2 (0.32) —
SCHEMBL19569905 0.85 — —
SCHEMBL24548582 0.85 — —
SCHEMBL24548581 0.83 CA2 (0.31) —
SCHEMBL23419401 0.82 — —
SCHEMBL26050477 0.81 — —
SCHEMBL25997481 0.80 — —

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 1 patent. 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
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