SCHEMBL297058

SCHEMBL297058

CCOC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 2/20 0.51
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 7/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 3/20 0.48
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.48

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
SCHEMBL11649134 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL11647838 0.85 ESR1 (0.53) ALDH1A1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL10688420 0.82 SIRT6 (0.48) ALDH1A1SMN1; SMN2POLBHPGDGAA
SCHEMBL8607087 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL6422578 0.80 KMT2A (0.65) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL22391679 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL28731066 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL9304506 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL10277624 0.80 CA12 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBGALR2
SCHEMBL29738072 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAPOLBGALR2

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170110759-A1 SOLID ELECTROLYTE BASF SE (DE) 2017-04-20 US disclosed
EP-3120408-A1 SOLID ELECTROLYTE BASF SE (DE) 2017-01-25 EP disclosed
WO-2015140298-A1 SOLID ELECTROLYTE BASF SE (DE) 2015-09-24 WO disclosed
EP-1506240-B1 GRAFT POLYOLS PREPARED BY A CONTINUOUS PROCESS BASF CORP (US) 2012-03-14 EP disclosed
EP-1641852-B1 PROCESS FOR FORMATION OF PREFORMED STABILIZER POLYOLS BASF CORP (US) 2008-07-23 EP disclosed
US-7148288-B2 Process for formation of preformed stabilizer polyols BASF CORPORATION (US) 2006-12-12 US disclosed
CN-1274733-C Graft polyols prepared by a continuous process BASF CORP (US) 2006-09-13 CN disclosed
EP-1641852-A1 PROCESS FOR FORMATION OF PREFORMED STABILIZER POLYOLS BASF Corporation (US) 2006-04-05 EP disclosed
CN-1653100-A Graft polyols prepared by a continuous process BASF CORP (US) 2005-08-10 CN disclosed
EP-1506240-A1 GRAFT POLYOLS PREPARED BY A CONTINUOUS PROCESS BASF CORPORATION (US) 2005-02-16 EP disclosed
US-4661531-A IN SITU FREE RADICAL POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMER IN POLYOL BASF CORPORATION (US) 1987-04-28 US disclosed
US-4568705-A HIGH RESILIENT POLYETHER-AND ESTERURETHANES BASF WYANDOTTE CORPORATION (US) 1986-02-04 US disclosed
EP-0163188-A2 A graft polymer dispersion in a mixture of low molecular weight polyols and polyether polyols and polyurethane foams prepared therefrom BASF Corporation (US) 1985-12-04 EP disclosed
US-4555527-A POLYURETHANE FOAM BASF WYANDOTTE CORPORATION (US) 1985-11-26 US disclosed
US-4522976-A Graft polymer dispersion in a mixture of low molecular weight polyols and polyether polyols and polyurethane foams prepared therefrom BASF WYANDOTTE CORPORATION (US) 1985-06-11 US disclosed
US-4503207-A UNSATURATION-CONTAINING POLYOLS BASF WYANDOTTE CORPORATION (US) 1985-03-05 US disclosed
US-4458038-A ADDITION-CONDENSATION COPOLYMERS BASF WYANDOTTE CORPORATION (US) 1984-07-03 US disclosed
US-4454255-A 0.001 TO 0.09 MOLE OF INDUCED UNSATURATION PER MOLE OF POLYOL MIXTURE BASF WYANDOTTE CORPORATION (US) 1984-06-12 US disclosed
EP-0091036-A2 Process for the preparation of white graft polymer dispersions and flame-retardant polyurethane foams BASF Corporation (US) 1983-10-12 EP disclosed
US-4129554-A PICRIC ACID, QUINONE, CHLORANIL, CYANOACETATE ESTER HITACHI CHEMICAL CO., LTD. (JP) 1978-12-12 US disclosed