SCHEMBL29484950

SCHEMBL29484950

CC(C)(C)c1ccc(Oc2cc(Br)cc(Oc3ccc(C(C)(C)C)nc3)c2I)cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 4/20 0.33
▸ SCN10A Q9Y5Y9 4/20 0.33
▸ MPO P05164 1/20 0.31
▸ TPO P07202 1/20 0.31
▸ EPX P11678 1/20 0.31
▸ LPO P22079 1/20 0.31
▸ ICAM1 P05362 1/20 0.30
▸ SELE P16581 1/20 0.30

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
SCHEMBL23633176 0.76 ALDH1A1 (0.46) ICAM1SELE
SCHEMBL16473188 0.69 HTT (0.47) —
SCHEMBL4790086 0.68 SOS1 (0.44) —
SCHEMBL10220768 0.68 CA12 (0.42) SCN10A
SCHEMBL681100 0.67 GBA1 (0.41) —
SCHEMBL29926723 0.67 GBA1 (0.41) —
SCHEMBL12710188 0.65 NQO1 (0.50) —
SCHEMBL20470885 0.64 SCN10A (0.42) SCN8ASCN10A
Formaldehyde SCHEMBL28302295 0.64 PKM (0.41) SCN10A
SCHEMBL26522784 0.64 ALDH1A3 (0.37) —

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
CN-114409685-B Organic micromolecule electroluminescent material, and preparation method and application thereof 华南理工大学 2023-07-21 — — CN disclosed
CN-114409685-A Organic small molecule electroluminescent material and preparation method and application thereof 华南理工大学 2022-04-29 — — CN disclosed
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