SCHEMBL21454849

SCHEMBL21454849

COc1nc2cc(C(=O)C(C(O)OC(C)(C)C)C(C)C(=O)OC(C)(C)C)sc2nc1OC

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 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
SCHEMBL22887151 1.00 STING1 (0.30) STING1
SCHEMBL21454852 0.85 STING1 (0.33) STING1
SCHEMBL21454856 0.80 STING1 (0.34) STING1
SCHEMBL30416042 0.76 ALDH1A1 (0.39) STING1
SCHEMBL21405985 0.76 ALDH1A1 (0.39) STING1
SCHEMBL21454855 0.76 STING1 (0.35) STING1
SCHEMBL21454860 0.74 STING1 (0.36) STING1
SCHEMBL21454857 0.73 STING1 (0.44) STING1
SCHEMBL21436929 0.71 STING1 (0.44) STING1
SCHEMBL21436939 0.71 STING1 (0.39) 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-2019195063-A1 AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed