SCHEMBL22200286

SCHEMBL22200286

COC(=O)CCC(F)(F)c1cc2cc(OC)c(OC)cc2s1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.49
ACHE P22303 8/20 0.46

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
SCHEMBL24175827 0.91 STING1 (0.45) STING1ACHE
SCHEMBL24175175 0.91 ACHE (0.43) STING1ACHE
SCHEMBL22200623 0.90 STING1 (0.51) STING1ACHE
SCHEMBL24175161 0.90 STING1 (0.47) STING1ACHE
SCHEMBL22200291 0.89 STING1 (0.47) STING1ACHE
SCHEMBL24175086 0.88 STING1 (0.46) STING1ACHE
SCHEMBL22200416 0.88 STING1 (0.46) STING1ACHE
SCHEMBL22200419 0.88 STING1 (0.46) STING1ACHE
SCHEMBL22200283 0.88 STING1 (0.58) STING1
SCHEMBL22200411 0.88 STING1 (0.46) 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 3 patents. 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
EP-3907221-A1 FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-11-10 EP disclosed
WO-2020140894-A1 FLUORINE-CONTAINING SUBSTITUTED BENZOTHIOPHENE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 中国科学院上海药物研究所 2020-07-09 WO disclosed