SCHEMBL23366511

SCHEMBL23366511

CC(C)n1c[n+](C(C)C)c2cc(OCCCCN=[N+]=[N-])ccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ ESRRG P62508 1/20 0.31

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
Iodide SCHEMBL22366566 0.99 ADRB2 (0.33) ADRB2ESR1ESRRG
Iodide SCHEMBL16516486 0.89 ADRB2 (0.32) ADRB2
SCHEMBL23366502 0.89 ABCG2 (0.39) —
Iodide SCHEMBL22366562 0.88 ABCG2 (0.39) —
SCHEMBL16525722 0.87 — —
Bicarbonate SCHEMBL29765552 0.84 ADRB2 (0.32) ADRB2ESR1ESRRG
Bicarbonate SCHEMBL26607968 0.84 ADRB2 (0.32) ADRB2ESR1ESRRG
SCHEMBL17916653 0.82 LTA4H (0.40) —
SCHEMBL25860237 0.82 CARM1 (0.34) ADRB2
Iodide SCHEMBL30731322 0.81 LTA4H (0.39) —

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
EP-3821981-A1 SUBSTRATE FOR NUCLEIC ACID AMPLIFICATION, AND METHOD FOR MANUFACTURING SAME Korea Research Institute of Bioscience and Biotechnology (KR) 2021-05-19 — — EP disclosed
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