SCHEMBL23419185

SCHEMBL23419185

[N-]=[N+]=NCOC1CC(n2cc(C#CCNC(=O)COC(COc3cccc(C(=O)NCCCCCN)c3)N=[N+]=[N-])c(N)nc2=O)OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 5/20 0.32
▸ P2RY6 Q15077 3/20 0.32
▸ P2RY4 P51582 2/20 0.32
▸ POLG P54098 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ POLA1 P09884 1/20 0.30
▸ POLD1 P28340 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX4 Q99571 1/20 0.30
▸ P2RX2 Q9UBL9 1/20 0.30
▸ HDAC3 O15379 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL20383456 0.92 P2RY2 (0.32) P2RY2P2RY6P2RY4POLGPOLB
SCHEMBL20021614 0.92 P2RY2 (0.32) P2RY2P2RY6P2RY4POLGPOLB
SCHEMBL14806824 0.92 P2RY2 (0.32) P2RY2P2RY6P2RY4POLGPOLB
SCHEMBL14820564 0.92 P2RY2 (0.32) P2RY2P2RY6P2RY4POLGPOLB
SCHEMBL20387883 0.92 P2RY2 (0.32) P2RY2P2RY6P2RY4POLGPOLB
SCHEMBL26082650 0.91 POLB (0.34) P2RY2P2RY6P2RY4POLGPOLB
SCHEMBL14392447 0.90 P2RY2 (0.32) P2RY2P2RY6P2RY4POLG
SCHEMBL20387895 0.90 P2RY2 (0.32) P2RY2P2RY6P2RY4POLG
SCHEMBL19569898 0.90 P2RY2 (0.32) P2RY2P2RY6P2RY4POLG
SCHEMBL24548685 0.89 P2RY2 (0.35) P2RY2P2RY6P2RY4

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-12031178-B2 Cyclooctatetraene containing dyes and compositions ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-09 — — US disclosed
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-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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