SCHEMBL26383282

SCHEMBL26383282

Cc1ccc2cc(-c3nc4cc(C(=O)NC(CNC(=O)C5=C/C=C\C=C/C=C\5)C(=O)NCCNC(=O)c5cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#Cc6cn([C@H]7CC(OCN=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O7)c(=O)[nH]c6=O)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
SCHEMBL26050477 0.86 — —
SCHEMBL23419406 0.85 — —
SCHEMBL25997482 0.84 — —
SCHEMBL24548684 0.82 — —
SCHEMBL25997443 0.81 — —
SCHEMBL15799880 0.80 POLB (0.38) —
SCHEMBL26051799 0.80 — —
SCHEMBL24570760 0.79 — —
SCHEMBL17636634 0.79 POLB (0.37) —
SCHEMBL15728355 0.79 POLB (0.37) —

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
US-20230313292-A1 CHROMENOQUINOLINE DYES AND USES IN SEQUENCING ILLUMINA, INC. 2023-10-05 — — US disclosed
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