SCHEMBL23480430

SCHEMBL23480430

C=C(CBr)COc1cc2cc(C(=O)CCC(=O)OC)sc2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 16/20 0.59
▸ ACHE P22303 4/20 0.48

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
SCHEMBL23480422 0.93 STING1 (0.64) STING1ACHE
SCHEMBL21405886 0.85 STING1 (0.79) STING1ACHE
SCHEMBL23480284 0.84 STING1 (0.79) STING1ACHE
SCHEMBL23461386 0.84 STING1 (0.79) STING1ACHE
SCHEMBL21405933 0.84 STING1 (0.62) STING1ACHE
SCHEMBL24175699 0.84 STING1 (0.62) STING1ACHE
SCHEMBL24175170 0.81 STING1 (0.65) STING1ACHE
SCHEMBL23480855 0.81 STING1 (0.59) STING1
SCHEMBL21452607 0.80 STING1 (0.64) STING1ACHE
SCHEMBL21452706 0.78 STING1 (0.80) STING1ACHE

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-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 — — WO disclosed
Send feedback