SCHEMBL24175377

SCHEMBL24175377

COC(=O)CCCC(=O)c1cc2c(F)c(OC)c(OC)cc2s1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 19/20 0.73
▸ ACHE P22303 1/20 0.40

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
SCHEMBL31435098 0.93 STING1 (0.80) STING1ACHE
SCHEMBL21452691 0.93 STING1 (0.80) STING1ACHE
SCHEMBL23480854 0.88 STING1 (0.76) STING1ACHE
SCHEMBL31289630 0.87 STING1 (0.74) STING1ACHE
SCHEMBL20049611 0.87 STING1 (0.81) STING1ACHE
SCHEMBL26931753 0.85 STING1 (0.62) STING1
SCHEMBL30682935 0.85 STING1 (0.62) STING1
SCHEMBL20022180 0.84 STING1 (0.82) STING1
SCHEMBL31435090 0.84 STING1 (1.00) STING1
SCHEMBL20022254 0.84 STING1 (1.00) 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-2022002077-A1 ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2022-01-06 — — WO disclosed
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