SCHEMBL830160

SCHEMBL830160

C=C(OC(=C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.57
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ SRD5A2 P31213 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ GSK3B P49841 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2479207 0.89 TDP1 (0.58) CES1CA1CA2TDP1MAPK1
SCHEMBL8759338 0.87 MAPK1 (0.59) CES1CA1CA2TDP1MAPK1
SCHEMBL17527918 0.84 MAPK1 (0.55) CES1CA1CA2TDP1MAPK1
SCHEMBL10940236 0.80 CES1 (0.64) CES1CA1CA2TDP1MAPK1
SCHEMBL1398000 0.80 CES1 (0.64) CES1CA1CA2TDP1MAPK1
SCHEMBL29156082 0.80 MAPK1 (0.50) CES1CA1CA2TDP1MAPK1
SCHEMBL10754805 0.80 MAPK1 (0.50) CES1CA1CA2TDP1MAPK1
SCHEMBL16925496 0.78 TDP1 (0.65) CES1CA1CA2TDP1MAPK1
SCHEMBL9322098 0.78 TSHR (0.63) CES1CA1CA2TDP1MAPK1
SCHEMBL8370241 0.77 ALDH1A1 (0.67) CES1CA1CA2TDP1MAPK1

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
EP-1960840-B1 DEVELOPER FOR REPLENISHMENT AND IMAGE FORMING METHOD CANON KK (JP) 2013-02-20 — — EP disclosed
US-8142972-B2 Developer for replenishment and image forming method CANON KABUSHIKI KAISHA (JP) 2012-03-27 — — US disclosed
US-20090123856-A1 DEVELOPER FOR REPLENISHMENT AND IMAGE FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2009-05-14 — — US disclosed
EP-1960840-A1 DEVELOPER FOR REPLENISHMENT AND IMAGE FORMING METHOD Canon Kabushiki Kaisha (JP) 2008-08-27 — — EP disclosed
WO-2007066800-A1 DEVELOPER FOR REPLENISHMENT AND IMAGE FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2007-06-14 — — WO disclosed
EP-0661291-B1 Solid phase synthesis of oligoribonucleotide AVENTIS PHARMA GMBH (DE) 2001-03-07 — — EP disclosed
US-5985502-A TONERS WITH BINDER RESINS AND COLORS CANON KABUSHIKI KAISHA (JP) 1999-11-16 — — US disclosed
EP-0661291-A1 Solid phase synthesis of oligoribonucleotide HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 — — EP disclosed
US-4472434-A MEXICAN BEAN BEETLES SCHERING AKTIENGESELLSCHAFT (DE) 1984-09-18 — — US disclosed
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