SCHEMBL2202860

SCHEMBL2202860

O=C(OCC(COC(=O)C(O)S)(COC(=O)C(O)S)COC(=O)C(O)S)C(O)S

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29725610 0.93 HTT (0.37) HTTMAPK1HIF1A
SCHEMBL2770546 0.81 HTT (0.37) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL322925 0.77 HTT (0.34) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL19610444 0.73 MAPK1 (0.33) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL3077754 0.73 MAPK1 (0.33) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL1171010 0.72 MAPK1 (0.31) HTTMAPK1HIF1A
SCHEMBL10577271 0.72 HDAC1 (0.34) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL6685271 0.71 LMNA (0.41) HTT
SCHEMBL13346809 0.70 ALDH1A1 (0.41) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL6470408 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110831981-B Dual activated microgel 路博润先进材料公司 2022-06-24 CN disclosed
CN-113817384-B Ice-repellency coatings and coated articles 帕尔公司 2022-05-03 CN disclosed
EP-2174994-B1 Ink jet ink, ink jet recording method, and ink cartridge CANON KK (JP) 2013-01-02 EP disclosed
EP-2174995-B1 Ink jet ink, ink jet recording method, and ink cartridge CANON KK (JP) 2012-12-26 EP disclosed
US-7977409-B2 Ink jet ink, ink jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
EP-2174995-A1 Ink jet ink, ink jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2010-04-14 EP disclosed
EP-2174994-A1 Ink jet ink, ink jet recording method, and ink cartridge CANON KABUSHIKI KAISHA (JP) 2010-04-14 EP disclosed
US-20100086686-A1 INK JET INK, INK JET RECORDING METHOD, AND INK CARTRIDGE CANON KABUSHIKI KAISHA (JP) 2010-04-08 US disclosed
US-20100086688-A1 INK JET INK, INK JET RECORDING METHOD, AND INK CARTRIDGE CANON KABUSHIKI KAISHA (JP) 2010-04-08 US disclosed