SCHEMBL1758086

SCHEMBL1758086

OC(C#CC(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 4/20 0.48
APOBEC3A P31941 2/20 0.48
APOBEC3G Q9HC16 2/20 0.48
PABPC1 P11940 1/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNN4 O15554 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39

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
SCHEMBL414397 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL7269790 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL11048505 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL11216416 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL31261832 0.85 KDM4E (0.47) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL9626191 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL2241808 0.83 APP (0.48) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL9547910 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL22679089 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1
SCHEMBL28644772 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EAPOBEC3AAPOBEC3GPABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114378299-B Preparation method of core-shell structure metal composite material 安徽壹石通材料科学研究院有限公司 2023-09-05 CN claimed
CN-114950159-A Preparation method of aromatic polymer separation membrane based on super-acid catalysis preparation 南京工业大学 2022-08-30 CN claimed
CN-114378299-A Preparation method of core-shell structure metal composite material 安徽壹石通材料科学研究院有限公司 2022-04-22 CN claimed
EP-1676478-B1 Slime remover and slime preventing/removing agent NIPPON SODA CO (JP) 2011-08-24 EP claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
EP-1676478-A2 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. (JP) 2006-07-05 EP claimed
US-6927199-B2 Slime remover and slime preventing/removing agent containing a clathrate compound NIPPON SODA CO., LTD (JP) 2005-08-09 US claimed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 US claimed
US-6528467-B1 Clathrates such as 5-chloro-2-methyl-4-isothiazolin-3-one and pressure molded 1,1-bis(4-hydroxyphenyl)cyclohexane host compounds, used for unclogging drains NIPPON SODA CO., LTD. (JP) 2003-03-04 US claimed
US-20030032569-A1 Slime remover and slime preventing/removing agent NIPPON SODA CO., LTD. 2003-02-13 US claimed
EP-1113112-A1 SLIME REMOVER AND SLIME PREVENTING/REMOVING AGENT NIPPON SODA CO., LTD. (JP) 2001-07-04 EP claimed
EP-0923867-A1 Antimicrobial composition and their use KURITA WATER INDUSTRIES LTD. (JP) 1999-06-23 EP claimed
EP-0326261-B1 Method of purifying a microbicide by separating the microbicide from a clathrate compound KURITA WATER IND LTD (JP) 1993-10-27 EP claimed
US-4996220-A Reacting microbiocide with powdery host; separating from clathrate to obtain high purity biocide KURITA WATER INDUSTRIES LTD. (JP) 1991-02-26 US claimed
US-4973700-A CLATHRATING KURITA WATER INDUSTRIES LTD. (JP) 1990-11-27 US claimed
EP-0332336-A2 Antimicrobial composition KURITA WATER INDUSTRIES LTD. (JP) 1989-09-13 EP claimed
EP-0326261-A2 Method of purifying a microbicide by separating the microbicide from a clathrate compound Kurita Water Industries Ltd. (JP) 1989-08-02 EP claimed
US-4717480-A EMULSIFICATION, SEMIPERMEABLE MEMBRANE, ELECTROSTATIC FIELD AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1988-01-05 US claimed