SCHEMBL1081981

SCHEMBL1081981

S=C1C=Cc2cccc3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
BCHE P06276 2/20 0.43
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
MCL1 Q07820 1/20 0.43
MAPK1 P28482 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 5/20 0.41
TSHR P16473 3/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
CYP3A4 P08684 2/20 0.38
PABPC1 P11940 2/20 0.38
DNMT1 P26358 2/20 0.38
HPGD P15428 4/20 0.37
TP53 P04637 1/20 0.37

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
Hydroxyl Radical SCHEMBL28845936 0.98 ALDH1A1 (0.41) ALDH1A1BCHECES1CES2MCL1
SCHEMBL28820242 0.98 ALDH1A1 (0.41) ALDH1A1BCHECES1CES2MCL1
Water SCHEMBL27288161 0.98 ALDH1A1 (0.41) ALDH1A1BCHECES1CES2MCL1
Hydrogen Sulfide SCHEMBL28178887 0.98 ALDH1A1 (0.41) ALDH1A1BCHECES1CES2MCL1
Formaldehyde SCHEMBL27291993 0.94 ALDH1A1 (0.43) ALDH1A1BCHECES1CES2MCL1
Sulfur Dioxide SCHEMBL21196862 0.92 ALDH1A1 (0.42) ALDH1A1BCHECES1CES2MCL1
Formaldehyde SCHEMBL28479013 0.92 ALDH1A1 (0.42) ALDH1A1BCHECES1CES2MCL1
Sulfur Dioxide SCHEMBL28093552 0.91 ALDH1A1 (0.41) ALDH1A1BCHECES1CES2MCL1
SCHEMBL28278114 0.89 ALDH1A1 (0.35) ALDH1A1BCHECES1CES2MCL1
Thiosulfuric Acid SCHEMBL27898230 0.89 ALDH1A1 (0.39) ALDH1A1BCHECES1CES2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111799434-B Method for removing lithium hydride facet defects from lithium metal foil 罗伯特·博世有限公司 2023-09-15 CN claimed
CN-109312075-B Polyalkoxy siloxane catholyte for high voltage lithium batteries 西奥公司 2022-06-14 CN claimed
CN-110016138-B High-flame-retardancy polyimide film and preparation method thereof 东华大学 2021-11-09 CN claimed
CN-112912421-A PXE-based polymer compositions 罗伯特·博世有限公司 2021-06-04 CN claimed
CN-108701506-B Cross-linked interpenetrating network block copolymer electrolyte for lithium battery 罗伯特·博世有限公司 2021-02-05 CN claimed
CN-111799434-A Method for removing facet defects of lithium hydride from lithium metal foil 罗伯特·博世有限公司 2020-10-20 CN claimed
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 苏州大学 2020-06-19 CN claimed
CN-110997684-A Polar polysiloxane electrolyte for lithium batteries 罗伯特·博世有限公司 2020-04-10 CN claimed
CN-109205923-A A kind of method and device removing arsenic in water body 郑州大学 2019-01-15 CN claimed
US-10173284-B2 Method for making flexible circuits SAATI S.P.A. (IT) 2019-01-08 US claimed
CN-102695743-A Improved blends of polyarylene ethers and polyarylene sulfides BASF SE 2012-09-26 CN claimed
CN-102341457-A Blends of polyarylene ethers and polyarylene sulfides comprising carboxylic anhydrides BASF SE 2012-02-01 CN claimed
JP-2004503995-A 2004-02-05 JP claimed
EP-1254501-A1 METHOD FOR PRODUCING A HIGH-QUALITY INSULATION OF ELECTRIC CONDUCTORS OR CONDUCTOR BUNDLES OF ROTATING ELECTRIC MACHINES BY MEANS OF THERMAL SPRAYING Alstom (FR) 2002-11-06 EP claimed
WO-2001048896-A1 METHOD FOR PRODUCING A HIGH-QUALITY INSULATION OF ELECTRIC CONDUCTORS OR CONDUCTOR BUNDLES OF ROTATING ELECTRIC MACHINES BY MEANS OF THERMAL SPRAYING ALSTOM (FR) 2001-07-05 WO claimed
CN-1177605-A Solutable polyarylidene sulfoxide and preparation method and use HOECHST AG (DE) 1998-04-01 CN claimed
EP-0624885-B1 Cable usable within the telecommunications field ALCATEL CABLE (FR) 1996-10-23 EP claimed
EP-0411823-A1 Thermoplastic polymer compositions containing melt-rheology modifiers ROHM AND HAAS COMPANY (US) 1991-02-06 EP claimed
US-4959516-A HEAT RESISTANT SUBSTRATE COATED WITH METAL AND ALLOY PARTICLES IN A POLYMERIC BINDER DENNISON MANUFACTURING COMPANY (US) 1990-09-25 US claimed
WO-1989011771-A1 LOCALIZED MICROWAVE RADIATION HEATING DENNISON MANUFACTURING COMPANY (US) 1989-11-30 WO claimed