SCHEMBL22200415

SCHEMBL22200415

COc1cc2sc(C(F)(F)CCC(=O)O)cc2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.49

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
SCHEMBL22200283 0.90 STING1 (0.58) STING1
SCHEMBL22200623 0.89 STING1 (0.51) STING1
SCHEMBL24175203 0.84 STING1 (0.52) STING1
SCHEMBL24175571 0.84 STING1 (0.52) STING1
SCHEMBL24175575 0.83 STING1 (0.51) STING1
SCHEMBL24175117 0.83 STING1 (0.60) STING1
SCHEMBL24175572 0.83 STING1 (0.51) STING1
SCHEMBL24175092 0.83 STING1 (0.51) STING1
SCHEMBL24175118 0.83 STING1 (0.63) STING1
SCHEMBL22200449 0.82 STING1 (0.64) 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 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