SCHEMBL3315349

SCHEMBL3315349

CCCCCNC1=CC(=O)c2ccccc2C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
APAF1 O14727 1/20 0.72
CYP1A2 P05177 1/20 0.66
CYP2C8 P10632 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2B6 P20813 1/20 0.66
CYP2C19 P33261 1/20 0.66
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
S100A4 P26447 2/20 0.54
SOAT1 P35610 10/20 0.52
MALT1 Q9UDY8 3/20 0.51
PTPN1 P18031 1/20 0.51
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL30587688 1.00 ALDH1A1 (0.72) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21818906 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814471 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814432 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814433 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814503 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814439 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814542 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814493 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9
SCHEMBL21814430 0.98 ALDH1A1 (0.70) ALDH1A1APAF1CYP1A2CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739725-B Amino quinone anti-polymerization agent and method of use thereof 埃科莱布美国股份有限公司 2023-09-26 CN claimed
US-11312793-B2 Amino-quinone antipolymerants and methods of using ECOLAB USA INC. (US) 2022-04-26 US claimed
EP-3856792-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING Ecolab USA, Inc. (US) 2021-08-04 EP claimed
CN-112739725-A Amino quinone anti-polymerization agents and methods of use thereof 埃科莱布美国股份有限公司 2021-04-30 CN claimed
US-20200102408-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. 2020-04-02 US claimed
WO-2020068735-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING ECOLAB USA INC. (US) 2020-04-02 WO claimed
US-20090262623-A1 OPTICAL MEDIA FORMAT FLEXPLAY TECHNOLOGIES, INC. (US) 2009-10-22 US claimed
EP-1817771-A2 OPTICAL MEDIA, READ INHIBITING AGENTS, AND METHODS OF MAKING AND USING SAME Flexplay Technologies, Inc. (US) 2007-08-15 EP claimed
US-20070017042-A1 Indicator System For Goods And Services FLEXPLAY TECHNOLOGIES, INC. (US) 2007-01-25 US claimed
US-20060136958-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-22 US claimed
US-20060126484-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-15 US claimed
WO-2006053330-A2 OPTICAL MEDIA, READ INHIBITING AGENTS, AND METHODS OF MAKING AND USING SAME FLEXPLAY TECHNOLOGIES, INC. (US) 2006-05-18 WO claimed
US-20060105134-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-05-18 US claimed
CN-112739725-B Amino quinone anti-polymerization agent and method of use thereof 埃科莱布美国股份有限公司 2023-09-26 CN disclosed
US-11312793-B2 Amino-quinone antipolymerants and methods of using ECOLAB USA INC. (US) 2022-04-26 US disclosed
EP-3856792-A1 AMINO-QUINONE ANTIPOLYMERANTS AND METHODS OF USING Ecolab USA, Inc. (US) 2021-08-04 EP disclosed
US-20060136948-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-22 US disclosed
US-20060126484-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-06-15 US disclosed
WO-2006053330-A2 OPTICAL MEDIA, READ INHIBITING AGENTS, AND METHODS OF MAKING AND USING SAME FLEXPLAY TECHNOLOGIES, INC. (US) 2006-05-18 WO disclosed
US-20060105134-A1 Optical media, read inhibiting agents and methods of making and using same FLEXPLAY TECHNOLOGIES, INC. (US) 2006-05-18 US disclosed