SCHEMBL23419443

SCHEMBL23419443

CC1CC(C)(C)N(CCCC(=O)NCCCCCNC(=O)c2cccc(OCC(N=[N+]=[N-])OCC(=O)NCC#Cc3cn(C4CC(OCN=[N+]=[N-])C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)c(=O)nc3N)c2)c2cc3oc(=O)c(C(=O)NCCNC(=O)C4=C/C=C\C=C/C=C\4)cc3cc21

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
SCHEMBL26050482 0.92 — —
SCHEMBL23419428 0.85 — —
SCHEMBL23419458 0.81 P2RY2 (0.30) —
SCHEMBL23419185 0.81 P2RY2 (0.32) —
SCHEMBL23419142 0.81 — —
SCHEMBL23419186 0.80 P2RY2 (0.33) —
SCHEMBL24548685 0.78 P2RY2 (0.35) —
SCHEMBL26050477 0.78 — —
SCHEMBL24240020 0.78 P2RY2 (0.31) —
SCHEMBL23419406 0.77 — —

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
US-12031178-B2 Cyclooctatetraene containing dyes and compositions ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-09 — — US disclosed
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
US-20230265503-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
US-20230265502-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2023-08-24 — — US disclosed
US-20210155983-A1 CYCLOOCTATETRAENE CONTAINING DYES AND COMPOSITIONS ILLUMINA CAMBRIDGE LIMITED (GB) 2021-05-27 — — US disclosed
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