SCHEMBL22200403

SCHEMBL22200403

COc1cc2cc(C(F)(F)CCC(=O)N(O)C3CC3)sc2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.41
STING1 Q86WV6 10/20 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
SCHEMBL23999281 0.87 STING1 (0.41) ACHESTING1
SCHEMBL22200394 0.85 STING1 (0.44) ACHESTING1
SCHEMBL23999274 0.83 STING1 (0.45) ACHESTING1
SCHEMBL22200409 0.82 STING1 (0.44) ACHESTING1
SCHEMBL22200399 0.82 STING1 (0.43) ACHESTING1
SCHEMBL22200395 0.82 STING1 (0.43) ACHESTING1
SCHEMBL22200292 0.81 STING1 (0.46) STING1
SCHEMBL22200301 0.80 STING1 (0.40) ACHESTING1
SCHEMBL22200417 0.80 STING1 (0.46) ACHESTING1
SCHEMBL22200283 0.80 STING1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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