SCHEMBL29960937

SCHEMBL29960937

C=Cc1ccc(-c2c(F)c(F)c(-c3c(F)c(F)c([B-](c4c(F)c(F)c(C(F)(F)F)c(F)c4F)(c4c(F)c(F)c(C(F)(F)F)c(F)c4F)c4c(F)c(F)c(C(F)(F)F)c(F)c4F)c(F)c3F)c(F)c2F)cc1.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30579935 0.99
SCHEMBL29960322 0.96
SCHEMBL30579930 0.92
SCHEMBL31072730 0.81
Lithium Ion SCHEMBL29960714 0.80 ALDH1A1 (0.31)
Lithium Ion SCHEMBL29960956 0.79 ALDH1A1 (0.32)
SCHEMBL26078239 0.78
Lithium Ion SCHEMBL30579931 0.77
SCHEMBL133838 0.75 SCN5A (0.31)
SCHEMBL26568321 0.71 ALDH1A1 (0.42)

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
US-20240279249-A1 Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2024-08-22 US disclosed
EP-4253389-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR Lg Chem, Ltd. (KR) 2023-10-04 EP disclosed
WO-2022203454-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR 주식회사 엘지화학 2022-09-29 WO disclosed