SCHEMBL21452746

SCHEMBL21452746

COC(=O)[C@@H](C)CC(=O)c1cc2cc(CCCBr)c(OC)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.64

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
SCHEMBL21422884 1.00 STING1 (0.64) STING1
SCHEMBL21452855 1.00 STING1 (0.64) STING1
SCHEMBL21422878 0.94 STING1 (0.69) STING1
SCHEMBL21439716 0.94 STING1 (0.69) STING1
SCHEMBL21422876 0.94 STING1 (0.69) STING1
SCHEMBL21406540 0.91 STING1 (0.78) STING1
SCHEMBL21406090 0.91 STING1 (0.78) STING1
SCHEMBL21406092 0.91 STING1 (0.78) STING1
SCHEMBL21406341 0.91 STING1 (0.66) STING1
SCHEMBL21406062 0.91 STING1 (0.66) STING1

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-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 — — WO disclosed
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