SCHEMBL12339032

SCHEMBL12339032

CCCCOCCc1cc(B2OC(C)(C)C(C)(C)O2)sc1/C=C/c1ccc(/C=C/c2sc(B3OC(C)(C)C(C)(C)O3)cc2CCOCCCC)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.34
▸ LIPG Q9Y5X9 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ AHR P35869 1/20 0.33
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL12339030 0.93 LPL (0.30) LPLLIPGALDH1A1CYP3A4TSHR
SCHEMBL12339020 0.80 LPL (0.39) LPLLIPG
SCHEMBL12338988 0.80 LPL (0.46) LPLLIPGCYP3A4TSHR
SCHEMBL12339014 0.76 LPL (0.36) LPLLIPG
SCHEMBL12338999 0.75 LPL (0.41) LPLLIPGCYP3A4TSHR
SCHEMBL12339001 0.75 LPL (0.41) LPLLIPGCYP3A4TSHR
SCHEMBL12610488 0.73 LPL (0.40) LPLLIPGALDH1A1CYP3A4TSHR
SCHEMBL12887152 0.72 ALDH1A1 (0.33) LPLLIPGALDH1A1CYP3A4TSHR
SCHEMBL12341668 0.71 LPL (0.38) LPLLIPG
SCHEMBL12339017 0.70 AHR (0.38) ALDH1A1CYP3A4TSHRAHRPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269099-B2 Electron donating organic material for photovoltaic devices, material for photovoltaic devices, and photovoltaic device TORAY INDUSTRIES, INC. (JP) 2012-09-18 — — US disclosed
US-8269099-B2 Electron donating organic material for photovoltaic devices, material for photovoltaic devices, and photovoltaic device TORAY INDUSTRIES, INC. (JP) 2012-09-18 — — US disclosed
US-20100006154-A1 ELECTRON DONATING ORGANIC MATERIAL FOR PHOTOVOLTAIC DEVICES, MATERIAL FOR PHOTOVOLTAIC DEVICES, AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2010-01-14 — — US disclosed
US-20100006154-A1 ELECTRON DONATING ORGANIC MATERIAL FOR PHOTOVOLTAIC DEVICES, MATERIAL FOR PHOTOVOLTAIC DEVICES, AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2010-01-14 — — US disclosed
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