SCHEMBL21118677

SCHEMBL21118677

CC(C)(O)C(C)(C)OBc1cccc(Oc2cccc(B3OC(C)(C)C(C)(C)O3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 5/20 0.36
▸ LPL P06858 4/20 0.36
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL18721600 0.90 LIPG (0.41) LIPGLPLCA1CA2CA9
SCHEMBL18540386 0.84 NPC1 (0.32) —
SCHEMBL12103836 0.81 LPL (0.41) LIPGLPLCA1CA2CA9
SCHEMBL20220269 0.80 LIPG (0.50) LIPGLPLCA1CA2CA9
SCHEMBL12103831 0.78 LPL (0.40) LIPGLPLCA1CA2CA9
SCHEMBL21568384 0.78 FFAR1 (0.38) LIPGLPLCA1CA2CA9
SCHEMBL14854199 0.78 CA1 (0.43) LIPGLPLCA1CA2CA9
SCHEMBL26045656 0.78 LPL (0.37) LIPGLPLCA1CA2CA9
SCHEMBL24232767 0.77 LMNA (0.39) —
SCHEMBL1199141 0.76 LIPG (0.50) LIPGLPLCA1CA2CA9

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-3502117-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-09-16 — — EP disclosed
EP-3502117-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-06-26 — — EP disclosed
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