SCHEMBL296800

SCHEMBL296800

C=C(CC(C)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14921 0.86 TAAR1 (0.48) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL2399414 0.81 MAOA (0.47) MAOAMAOBCYP2C19HIF1AALDH1A1
Carbon Tetrachloride SCHEMBL28327161 0.81 TAAR1 (0.44) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL2047123 0.79 CYP2C19 (0.47) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL10912607 0.79 ALDH1A1 (0.43) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL8676203 0.78 MAOA (0.44) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL3321479 0.77 MAOA (0.40) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL7172775 0.77 CYP2C19 (0.44) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL23287920 0.76 MAOA (0.42) MAOAMAOBCYP2C19HIF1AALDH1A1
SCHEMBL5033208 0.76 MAOA (0.42) MAOAMAOBCYP2C19HIF1AALDH1A1

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 42 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
EP-1641852-A1 PROCESS FOR FORMATION OF PREFORMED STABILIZER POLYOLS BASF Corporation (US) 2006-04-05 EP disclosed
WO-2005003200-A1 PROCESS FOR FORMATION OF PREFORMED STABILIZER POLYOLS BASF CORPORATION (US) 2005-01-13 WO disclosed
US-20040266958-A1 Process for formation of preformed stabilizer polyols BASF CORPORATION 2004-12-30 US disclosed
US-6780932-B2 Graft polyols prepared by a continuous process BASF CORPORATION 2004-08-24 US disclosed
US-4689354-A STYRENE GRAFTED POLYESTERETHER POLYOLS, CHAIN TRANSFERAGENTS, UNSATURATION BASF CORPORATION (US) 1987-08-25 US 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